[4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C31H39NO2 MolecularWeight: 457.64686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H39NO2/c1-2-3-4-5-23-6-10-25(11-7-23)27-14-16-29(17-15-27)31(33)34-30-20-18-28(19-21-30)26-12-8-24(22-32)9-13-26/h8-9,12-13,18-21,23,25,27,29H,2-7,10-11,14-17H2,1H3