(2S)-1-[(4-cyanophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(4-cyanophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(4-cyanophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(4-cyanophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(4-cyanophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-(4-cyanobenzyl)-5-keto-proline Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1C(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(=O)N([C@@H]1C(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H12N2O3/c14-7-9-1-3-10(4-2-9)8-15-11(13(17)18)5-6-12(15)16/h1-4,11H,5-6,8H2,(H,17,18)/t11-/m0/s1