[2,3-dicyano-4-(4-propylcyclohexyl)phenyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: [2,3-dicyano-4-(4-propylcyclohexyl)phenyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [2,3-dicyano-4-(4-propylcyclohexyl)phenyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-pentyl-4-bicyclo[2.2.2]octanecarboxylic acid [2,3-dicyano-4-(4-propylcyclohexyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(4-propylcyclohexyl)phenyl] 1-pentylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-amylbicyclo[2.2.2]octane-4-carboxylic acid [2,3-dicyano-4-(4-propylcyclohexyl)phenyl] ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)C4CCC(CC4)CCC)C#N)C#N

InChI

InChI=1S/C31H42N2O2/c1-3-5-6-14-30-15-18-31(19-16-30,20-17-30)29(34)35-28-13-12-25(26(21-32)27(28)22-33)24-10-8-23(7-4-2)9-11-24/h12-13,23-24H,3-11,14-20H2,1-2H3