4-[[1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(3,5-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(3,5-dimethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4/c1-12-7-13(2)9-17(8-12)22-11-15(10-18(22)23)19(24)21-16-5-3-14(4-6-16)20(25)26/h3-9,15H,10-11H2,1-2H3,(H,21,24)(H,25,26)