3-methyl-4-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[[3-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[3-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoic acid Traditional Name: 4-[[3-[(2-ketopyrrolidino)methyl]benzoyl]amino]-3-methyl-benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)CN3CCCC3=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)CN3CCCC3=O

InChI

InChI=1S/C20H20N2O4/c1-13-10-16(20(25)26)7-8-17(13)21-19(24)15-5-2-4-14(11-15)12-22-9-3-6-18(22)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,21,24)(H,25,26)