4-[[4-(2-methylphenyl)carbonyl-1-oxidanylidene-2H-isoquinolin-3-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(2-methylphenyl)carbonyl-1-oxidanylidene-2H-isoquinolin-3-yl]amino]benzoic acid Openeye Name: 4-[[4-(2-methylbenzoyl)-1-oxo-2H-isoquinolin-3-yl]amino]benzoic acid CAS Name: 4-[[4-[(2-methylphenyl)-oxomethyl]-1-oxo-2H-isoquinolin-3-yl]amino]benzoic acid IUPAC Name: 4-[[4-(2-methylbenzoyl)-1-oxo-2H-isoquinolin-3-yl]amino]benzoic acid Traditional Name: 4-[(1-keto-4-o-toluoyl-2H-isoquinolin-3-yl)amino]benzoic acid Formula: C24H18N2O4 MolecularWeight: 398.41072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H18N2O4/c1-14-6-2-3-7-17(14)21(27)20-18-8-4-5-9-19(18)23(28)26-22(20)25-16-12-10-15(11-13-16)24(29)30/h2-13H,1H3,(H,29,30)(H2,25,26,28)