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

Systemtic Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO2/c1-2-3-4-6-9-13-24-16-20-26(21-17-24)30-27(29)25-18-14-23(15-19-25)12-10-7-5-8-11-22-28/h5,7-8,11,16-17,20-21,23,25H,2-4,6,9-10,12-15,18-19H2,1H3/b7-5+,11-8+