(4-heptylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C25H33NO2 MolecularWeight: 379.53502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C25H33NO2/c1-2-3-4-5-7-10-22-14-18-24(19-15-22)28-25(27)23-16-12-21(13-17-23)11-8-6-9-20-26/h6,8-9,11,14-15,18-19,21,23H,2-5,7,10,12-13,16-17H2,1H3/b9-6+,11-8+