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

Systemtic Name: (2,3-dicyano-4-pentyl-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyano-4-pentyl-phenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-propyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyano-4-pentylphenyl) ester IUPAC Name: (2,3-dicyano-4-pentylphenyl) 1-propylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-propylbicyclo[2.2.2]octane-4-carboxylic acid (4-amyl-2,3-dicyano-phenyl) ester Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCC)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)OC(=O)C23CCC(CC2)(CC3)CCC)C#N)C#N

InChI

InChI=1S/C25H32N2O2/c1-3-5-6-7-19-8-9-22(21(18-27)20(19)17-26)29-23(28)25-14-11-24(10-4-2,12-15-25)13-16-25/h8-9H,3-7,10-16H2,1-2H3