[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C24H31NO2 MolecularWeight: 365.50844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=CC#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C/C#N

InChI

InChI=1S/C24H31NO2/c1-2-3-9-20-11-15-22(16-12-20)24(26)27-23-17-13-21(14-18-23)10-7-5-4-6-8-19-25/h4-6,8,11-12,15-16,21,23H,2-3,7,9-10,13-14,17-18H2,1H3/b5-4+,8-6+