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

Systemtic Name: 4-[[(3S)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(3S)-5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[(3S)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[(3S)-5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]amino]benzoic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H18N2O4/c1-12-2-8-16(9-3-12)21-11-14(10-17(21)22)18(23)20-15-6-4-13(5-7-15)19(24)25/h2-9,14H,10-11H2,1H3,(H,20,23)(H,24,25)/t14-/m0/s1