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

Systemtic Name: (4-butylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-butylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid (4-butylphenyl) ester Formula: C24H31NO2 MolecularWeight: 365.50844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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