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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C=CC=CC#N)OC(=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(CCC1/C=C/C=C/C#N)OC(=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

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