(3-cyanophenyl)methyl 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate

Systemtic Name: (3-cyanophenyl)methyl 2-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylamino]ethanoate Openeye Name: (3-cyanophenyl)methyl 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate CAS Name: 2-[[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]amino]acetic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate Traditional Name: 2-[[4-(2-ketopyrrolidino)benzoyl]amino]acetic acid (3-cyanobenzyl) ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H19N3O4/c22-12-15-3-1-4-16(11-15)14-28-20(26)13-23-21(27)17-6-8-18(9-7-17)24-10-2-5-19(24)25/h1,3-4,6-9,11H,2,5,10,13-14H2,(H,23,27)