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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC=CC=CC#N

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CC/C=C/C=C/C#N

InChI

InChI=1S/C31H43NO2/c1-2-3-7-10-25-12-16-27(17-13-25)28-20-22-30(23-21-28)34-31(33)29-18-14-26(15-19-29)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+