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

Systemtic Name: (2,3-dicyanophenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyanophenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-pentyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyanophenyl) ester IUPAC Name: (2,3-dicyanophenyl) 1-pentylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-amylbicyclo[2.2.2]octane-4-carboxylic acid (2,3-dicyanophenyl) ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=CC(=C3C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=CC(=C3C#N)C#N

InChI

InChI=1S/C22H26N2O2/c1-2-3-4-8-21-9-12-22(13-10-21,14-11-21)20(25)26-19-7-5-6-17(15-23)18(19)16-24/h5-7H,2-4,8-14H2,1H3