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

Systemtic Name: (2,3-dicyano-4-ethoxy-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyano-4-ethoxy-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyano-4-ethoxyphenyl) ester IUPAC Name: (2,3-dicyano-4-ethoxyphenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid (2,3-dicyano-4-ethoxy-phenyl) ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)OCC)C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C(=O)OC3=C(C(=C(C=C3)OCC)C#N)C#N

InChI

InChI=1S/C22H26N2O3/c1-3-7-21-8-11-22(12-9-21,13-10-21)20(25)27-19-6-5-18(26-4-2)16(14-23)17(19)15-24/h5-6H,3-4,7-13H2,1-2H3