4-[[(3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[(3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-1-(3-chloro-2-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-1-(3-chloro-2-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-1-(3-chloro-2-methyl-phenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid Formula: C19H17ClN2O4 MolecularWeight: 372.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17ClN2O4/c1-11-15(20)3-2-4-16(11)22-10-13(9-17(22)23)18(24)21-14-7-5-12(6-8-14)19(25)26/h2-8,13H,9-10H2,1H3,(H,21,24)(H,25,26)/t13-/m0/s1