4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(phenylmethyl)cyclohexane-1-carboxylic acid

Systemtic Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)-2-(phenylmethyl)cyclohexane-1-carboxylic acid Openeye Name: 2-benzyl-4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-(phenylmethyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-benzyl-4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid Traditional Name: 2-benzyl-4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(C(C2)CC3=CC=CC=C3)C(=O)O)C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(C(C2)CC3=CC=CC=C3)C(=O)O)C#N)OC4CCCC4

InChI

InChI=1S/C27H31NO4/c1-31-24-12-11-21(16-25(24)32-22-9-5-6-10-22)27(18-28)14-13-23(26(29)30)20(17-27)15-19-7-3-2-4-8-19/h2-4,7-8,11-12,16,20,22-23H,5-6,9-10,13-15,17H2,1H3,(H,29,30)