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

Systemtic Name: [4-(4-cyanophenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-cyanophenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid [4-(4-cyanophenyl)cyclohexyl] ester IUPAC Name: [4-(4-cyanophenyl)cyclohexyl] 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyanobuta-1,3-dienyl]cyclohexanecarboxylic acid [4-(4-cyanophenyl)cyclohexyl] ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C=CC=CC#N)C(=O)OC2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(CCC1/C=C/C=C/C#N)C(=O)OC2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H28N2O2/c26-17-3-1-2-4-19-5-11-23(12-6-19)25(28)29-24-15-13-22(14-16-24)21-9-7-20(18-27)8-10-21/h1-4,7-10,19,22-24H,5-6,11-16H2/b3-1+,4-2+