[2,3-dicyano-4-(4-pentylcyclohexyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: [2,3-dicyano-4-(4-pentylcyclohexyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [2,3-dicyano-4-(4-pentylcyclohexyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid [2,3-dicyano-4-(4-pentylcyclohexyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(4-pentylcyclohexyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid [4-(4-amylcyclohexyl)-2,3-dicyano-phenyl] ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)OC(=O)C34CCC(CC3)(CC4)CCC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C(=C(C=C2)OC(=O)C34CCC(CC3)(CC4)CCC)C#N)C#N

InChI

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