(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O4/c23-13-12-19(26)24-18-10-8-17(9-11-18)22(28)29-20(16-6-2-1-3-7-16)21(27)25-14-4-5-15-25/h1-3,6-11,20H,4-5,12,14-15H2,(H,24,26)