4-[[(3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid Formula: C18H15ClN2O4 MolecularWeight: 358.7757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15ClN2O4/c19-13-3-7-15(8-4-13)21-10-12(9-16(21)22)17(23)20-14-5-1-11(2-6-14)18(24)25/h1-8,12H,9-10H2,(H,20,23)(H,24,25)/t12-/m0/s1