diethyl 2-(2-cyano-1-phenyl-ethyl)propanedioate

Systemtic Name: diethyl 2-(2-cyano-1-phenyl-ethyl)propanedioate Openeye Name: diethyl 2-(2-cyano-1-phenyl-ethyl)propanedioate CAS Name: 2-(2-cyano-1-phenylethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-cyano-1-phenylethyl)propanedioate Traditional Name: 2-(2-cyano-1-phenyl-ethyl)malonic acid diethyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO4/c1-3-20-15(18)14(16(19)21-4-2)13(10-11-17)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10H2,1-2H3