(phenylmethyl) 2-(2-cyanoethanoyl)-4-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-cyanoethanoyl)-4-methyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(2-cyanoacetyl)-4-methyl-pyrrolidine-1-carboxylate CAS Name: 2-(2-cyano-1-oxoethyl)-4-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-cyanoacetyl)-4-methylpyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanoacetyl)-4-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CC#N

Isomeric SMILES

CC1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CC#N

InChI

InChI=1S/C16H18N2O3/c1-12-9-14(15(19)7-8-17)18(10-12)16(20)21-11-13-5-3-2-4-6-13/h2-6,12,14H,7,9-11H2,1H3