diethyl 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioate

Systemtic Name: diethyl 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioate Openeye Name: diethyl 2-benzyl-2-(2-cyanoethyl)propanedioate CAS Name: 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-benzyl-2-(2-cyanoethyl)propanedioate Traditional Name: 2-benzyl-2-(2-cyanoethyl)malonic acid diethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#N)(CC1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCC#N)(CC1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C17H21NO4/c1-3-21-15(19)17(11-8-12-18,16(20)22-4-2)13-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11,13H2,1-2H3