4-chloranyl-3-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Formula: C29H25ClN2O6 MolecularWeight: 532.9716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H25ClN2O6/c1-4-23(26(33)31-22-15-18(28(35)36)13-14-21(22)30)38-29(37)25-24(17-11-9-16(2)10-12-17)19-7-5-6-8-20(19)27(34)32(25)3/h5-15,23H,4H2,1-3H3,(H,31,33)(H,35,36)