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

Systemtic Name: 3-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxybutanoylamino]benzoic acid Openeye Name: 3-[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid CAS Name: 3-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Traditional Name: 3-[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxybutanoylamino]benzoic acid Formula: C28H23ClN2O6 MolecularWeight: 518.94502

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H23ClN2O6/c1-3-22(25(32)30-19-8-6-7-17(15-19)27(34)35)37-28(36)24-23(16-11-13-18(29)14-12-16)20-9-4-5-10-21(20)26(33)31(24)2/h4-15,22H,3H2,1-2H3,(H,30,32)(H,34,35)