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

Systemtic Name: (4-ethylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid (4-ethylphenyl) ester Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC=CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C=C/C#N

InChI

InChI=1S/C22H27NO2/c1-2-18-11-15-21(16-12-18)25-22(24)20-13-9-19(10-14-20)8-6-4-3-5-7-17-23/h3-5,7,11-12,15-16,19-20H,2,6,8-10,13-14H2,1H3/b4-3+,7-5+