[4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-hexoxy-benzoate

Systemtic Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid [4-(4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylcyclohexyl)cyclohexyl] 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-(4-amylcyclohexyl)cyclohexyl] ester Formula: C31H47NO3 MolecularWeight: 481.70978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2CCC(CC2)C3CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C31H47NO3/c1-3-5-7-9-21-34-30-20-17-27(22-28(30)23-32)31(33)35-29-18-15-26(16-19-29)25-13-11-24(12-14-25)10-8-6-4-2/h17,20,22,24-26,29H,3-16,18-19,21H2,1-2H3