(phenylmethyl) (2S)-1-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(6-oxidanylidene-1H-pyridin-3-yl)carbonyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-(6-oxo-1H-pyridin-3-yl)methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(6-keto-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CNC(=O)C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4/c21-16-9-8-14(11-19-16)17(22)20-10-4-7-15(20)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,19,21)/t15-/m0/s1