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

Systemtic Name: 2-chloranyl-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinolin-3-yl]carbonyloxypropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[4-(4-chlorophenyl)-2-methyl-1-oxo-3-isoquinolinyl]-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carbonyl]oxypropanoylamino]benzoic acid Formula: C27H20Cl2N2O6 MolecularWeight: 539.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H20Cl2N2O6/c1-14(24(32)30-17-11-12-21(29)20(13-17)26(34)35)37-27(36)23-22(15-7-9-16(28)10-8-15)18-5-3-4-6-19(18)25(33)31(23)2/h3-14H,1-2H3,(H,30,32)(H,34,35)