(2,3-dicyanophenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: (2,3-dicyanophenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyanophenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyanophenyl) ester IUPAC Name: (2,3-dicyanophenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid (2,3-dicyanophenyl) ester Formula: C20H22N2O2 MolecularWeight: 322.40088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C(=O)OC3=CC=CC(=C3C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C(=O)OC3=CC=CC(=C3C#N)C#N

InChI

InChI=1S/C20H22N2O2/c1-2-6-19-7-10-20(11-8-19,12-9-19)18(23)24-17-5-3-4-15(13-21)16(17)14-22/h3-5H,2,6-12H2,1H3