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

Systemtic Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid [2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl] ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)C45CCC(CC4)(CC5)CCC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)C45CCC(CC4)(CC5)CCC)C#N)C#N

InChI

InChI=1S/C31H40N2O2/c1-3-7-28-9-15-30(16-10-28,17-11-28)25-5-6-26(24(22-33)23(25)21-32)35-27(34)31-18-12-29(8-4-2,13-19-31)14-20-31/h5-6H,3-4,7-20H2,1-2H3