341759 <common-name>(4-cyanophenyl) 4-[4-(2-methylbutyl)phenyl]benzoate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>103485</pubchem-id> <chemical-formula>C25H23NO2</chemical-formula> <weight>369.5</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">2026-08-31T02:22:40Z</created-at> <updated-at type="dateTime">2026-08-31T02:22:40Z</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>CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N</moldb-smiles> <moldb-formula>C25H23NO2</moldb-formula> <moldb-inchi>InChI=1S/C25H23NO2/c1-3-18(2)16-19-4-8-21(9-5-19)22-10-12-23(13-11-22)25(27)28-24-14-6-20(17-26)7-15-24/h4-15,18H,3,16H2,1-2H3</moldb-inchi> <moldb-inchikey>KSTDUUFIIKDDDT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">369.172879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.8</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>CHEM337652</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>(4-cyanophenyl) 4-[4-(2-methylbutyl)phenyl]benzoate</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>Phenylpropanoids and polyketides</superklass> <klass>Depsides and depsidones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0292155</sync-id> <structure-inchikey>KSTDUUFIIKDDDT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000020000000000180000200000000004000000000000000080000000000000000100200420020000000000000000000000000000000000000010000000000000000000000000000010200000000002000002000010000020000000000000000020001000000000000402000000080000000000000000000000000000000000000004000000000000000000080000080000000000000000000000000000000000000000000000000000008c000000000000002000000000010000000000000800000000000000000000000000000000000004000000040000220000000000000000000000000000040000000000400000000200800000000200000000000</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�B������ ����� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:41:36Z</structure-indexed-at> </compound>