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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC=CC#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C=C/C#N

InChI

InChI=1S/C24H31NO2/c1-2-3-4-6-9-21-13-17-23(18-14-21)27-24(26)22-15-11-20(12-16-22)10-7-5-8-19-25/h5,7-8,10,13-14,17-18,20,22H,2-4,6,9,11-12,15-16H2,1H3/b8-5+,10-7+