ethyl 4-cyano-2-(2-cyanoethyl)-2-(phenylcarbonyl)butanoate

Systemtic Name: ethyl 4-cyano-2-(2-cyanoethyl)-2-(phenylcarbonyl)butanoate Openeye Name: ethyl 2-benzoyl-4-cyano-2-(2-cyanoethyl)butanoate CAS Name: 2-benzoyl-4-cyano-2-(2-cyanoethyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-4-cyano-2-(2-cyanoethyl)butanoate Traditional Name: 2-benzoyl-4-cyano-2-(2-cyanoethyl)butyric acid ethyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#N)(CCC#N)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CCC#N)(CCC#N)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H18N2O3/c1-2-22-16(21)17(10-6-12-18,11-7-13-19)15(20)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-11H2,1H3