2-chloranyl-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Formula: C28H22Cl2N2O6 MolecularWeight: 553.39008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22Cl2N2O6/c1-3-22(25(33)31-17-12-13-21(30)20(14-17)27(35)36)38-28(37)24-23(15-8-10-16(29)11-9-15)18-6-4-5-7-19(18)26(34)32(24)2/h4-14,22H,3H2,1-2H3,(H,31,33)(H,35,36)