ethyl 4-(4-imidazol-1-ylphenyl)-2-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(4-imidazol-1-ylphenyl)-2-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(4-imidazol-1-ylphenyl)-2-oxo-pyrrolidine-3-carboxylate CAS Name: 4-[4-(1-imidazolyl)phenyl]-2-oxo-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-imidazol-1-ylphenyl)-2-oxopyrrolidine-3-carboxylate Traditional Name: 4-(4-imidazol-1-ylphenyl)-2-keto-pyrrolidine-3-carboxylic acid ethyl ester Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CNC1=O)C2=CC=C(C=C2)N3C=CN=C3

Isomeric SMILES

CCOC(=O)C1C(CNC1=O)C2=CC=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H17N3O3/c1-2-22-16(21)14-13(9-18-15(14)20)11-3-5-12(6-4-11)19-8-7-17-10-19/h3-8,10,13-14H,2,9H2,1H3,(H,18,20)