[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylphenyl)-1-cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylphenyl)cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C31H43NO2 MolecularWeight: 461.67862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C=C/C#N

InChI

InChI=1S/C31H43NO2/c1-2-3-7-10-25-12-16-27(17-13-25)28-18-20-29(21-19-28)31(33)34-30-22-14-26(15-23-30)11-8-5-4-6-9-24-32/h4-6,9,12-13,16-17,26,28-30H,2-3,7-8,10-11,14-15,18-23H2,1H3/b5-4+,9-6+