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

Systemtic Name: (2,3-dicyano-4-propyl-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyano-4-propyl-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyano-4-propylphenyl) ester IUPAC Name: (2,3-dicyano-4-propylphenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid (2,3-dicyano-4-propyl-phenyl) ester Formula: C23H28N2O2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCC1=C(C(=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C23H28N2O2/c1-3-5-17-6-7-20(19(16-25)18(17)15-24)27-21(26)23-12-9-22(8-4-2,10-13-23)11-14-23/h6-7H,3-5,8-14H2,1-2H3