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

Systemtic Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester Formula: C32H45NO2 MolecularWeight: 475.7052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC=CC=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CC/C=C/C=C/C#N

InChI

InChI=1S/C32H45NO2/c1-2-3-4-8-11-26-13-17-28(18-14-26)29-21-23-31(24-22-29)35-32(34)30-19-15-27(16-20-30)12-9-6-5-7-10-25-33/h5-7,10,13-14,17-18,27,29-31H,2-4,8-9,11-12,15-16,19-24H2,1H3/b6-5+,10-7+