3-methyl-4-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(5-oxo-1-phenethyl-pyrrolidine-3-carbonyl)amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-(5-oxo-1-phenethyl-3-pyrrolidinyl)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-oxo-1-phenethylpyrrolidine-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(5-keto-1-phenethyl-pyrrolidine-3-carbonyl)amino]-3-methyl-benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-14-11-16(21(26)27)7-8-18(14)22-20(25)17-12-19(24)23(13-17)10-9-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,25)(H,26,27)