<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344398</id>
  <title nil="true"/>
  <common-name>2-[[(6r)-6-(diphenylcarbamoyloxymethyl)-6-hydroxy-7,8-dihydro-5h-naphthalen-1-yl]oxy]acetic acid</common-name>
  <description>2-[[(6r)-6-(diphenylcarbamoyloxymethyl)-6-hydroxy-7,8-dihydro-5h-naphthalen-1-yl]oxy]acetic acid is a chemical compound with the formula C26H25NO6. It has an average molecular weight of 447.50 g/mol.</description>
  <cas>227951-89-5</cas>
  <pubchem-id>9911469</pubchem-id>
  <chemical-formula>C26H25NO6</chemical-formula>
  <weight>447.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T06:19:28Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:19:28Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1CC(CC2=C1C(=CC=C2)OCC(=O)O)(COC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)O</moldb-smiles>
  <moldb-formula>C26H25NO6</moldb-formula>
  <moldb-inchi>InChI=1S/C26H25NO6/c28-24(29)17-32-23-13-7-8-19-16-26(31,15-14-22(19)23)18-33-25(30)27(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,31H,14-18H2,(H,28,29)/t26-/m1/s1</moldb-inchi>
  <moldb-inchikey>UZJAIYJXBYWENR-AREMUKBSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">447.1681875</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.4</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM340291</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[(6r)-6-(diphenylcarbamoyloxymethyl)-6-hydroxy-7,8-dihydro-5h-naphthalen-1-yl]oxy]acetic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenoxyacetic acid derivatives</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0060995</sync-id>
  <structure-inchikey>UZJAIYJXBYWENR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000001000800000000002000010000000000000000000000000000000000080000000000000000040000004200004000000000000000000000000000000000000000000000000000000000028000000080100000000000008000000000000010000000000000000004000000000020008000004000200000000000001000088400000808000000008000020200000100100000000080000010000000000000000000000000000080000002000000080080000000000000040000000000000000000000000000002000000000000000008000000600200000000000000000000000000000040000000000400000000000020000000080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€���`�������`������� ������`������@(������@(������@(������@h�������@h�������@h��������(�������`�������(�������(�������h��������`�������(�������(�������(�������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������`��������������������h���h���h���h��	h��
 
������(��� �������� ��(��� �� ��h���h���h���h���h��� ��h���h���h���h���h�� ����	�h���h���h�B���������������	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:42Z</structure-indexed-at>
</compound>
