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

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-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-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C30H41NO2 MolecularWeight: 447.65204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=CC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C/C=C/C#N

InChI

InChI=1S/C30H41NO2/c1-2-3-9-24-11-15-26(16-12-24)27-17-19-28(20-18-27)30(32)33-29-21-13-25(14-22-29)10-7-5-4-6-8-23-31/h4-6,8,11-12,15-16,25,27-29H,2-3,7,9-10,13-14,17-22H2,1H3/b5-4+,8-6+