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

Systemtic Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=CC#N)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C/C#N)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O2/c22-15-5-3-1-2-4-6-17-7-11-19(12-8-17)21(24)25-20-13-9-18(16-23)10-14-20/h1-3,5,9-10,13-14,17,19H,4,6-8,11-12H2/b2-1+,5-3+