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

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-cyanophenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-cyanophenyl)cyclohexanecarboxylate CAS Name: 4-(4-cyanophenyl)-1-cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-(4-cyanophenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-cyanophenyl)cyclohexanecarboxylic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=CC#N)OC(=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C/C#N)OC(=O)C2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H32N2O2/c28-19-5-3-1-2-4-6-21-9-17-26(18-10-21)31-27(30)25-15-13-24(14-16-25)23-11-7-22(20-29)8-12-23/h1-3,5,7-8,11-12,21,24-26H,4,6,9-10,13-18H2/b2-1+,5-3+