313724 <common-name>(4-cyanophenyl) 4-butylcyclohexane-1-carboxylate</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>112843</pubchem-id> <chemical-formula>C18H23NO2</chemical-formula> <weight>285.4</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">2026-08-29T10:34:52Z</created-at> <updated-at type="dateTime">2026-08-29T10:34:52Z</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>CCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C#N</moldb-smiles> <moldb-formula>C18H23NO2</moldb-formula> <moldb-inchi>InChI=1S/C18H23NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h7-8,11-12,14,16H,2-6,9-10H2,1H3</moldb-inchi> <moldb-inchikey>LCDCOOLHWJZOQR-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">285.172879</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM309617</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-butylcyclohexane-1-carboxylate</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>Phenol esters</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0264624</sync-id> <structure-inchikey>LCDCOOLHWJZOQR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4200000000000800002002000000000000100000000000000000000000800000002004000200000000000000000000000000000000000000000000000000002000000000000010000000000000020000020000100008200000000000000000220010000008000000000000000200000020000000000020000000000100000000040000000000000000000800000000000000000000000000000000000000000000004000000000000088000000000000002000000000000000000000000000000000000000000000000000000010000000000000040000200000000000000000000000000000040000000010400000000200080002000000000000000</structure-fingerprint> <structure-pattern-fingerprint>4010002001220e4088000900010820000000040001052000003100400200000c40020010008000000000410800800000042000a4408c30010020643000a04000c6110c00020006000090102000620100000401805001013240000422000049000c200406004082000000040044340001200080500505e004110c000002510042004400080ce0800808020240882c0008111c0852444014820004080000408080004300001010c00000000840017c25100ac00000884108401000020008c002100001000404000002018000000401028000040000020040000d0000000800000000000810000100000000000240022008001000308042000e0000000050000000</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������������������������������� �� � �(� � � �h���h���h���h���h��� ��(� ��� h�B������ ���������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T03:43:35Z</structure-indexed-at> </compound>