(1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: (1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-1-methyl-2-pyrrolidino-ethyl) ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC(C(=O)N1CCCC1)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C17H19N3O4/c1-12(16(22)20-10-2-3-11-20)24-17(23)13-4-6-14(7-5-13)19-15(21)8-9-18/h4-7,12H,2-3,8,10-11H2,1H3,(H,19,21)