methyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[2-(4-chlorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chlorophenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[2-(4-chlorophenyl)-1-keto-isoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C24H17ClN2O4 MolecularWeight: 432.85578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H17ClN2O4/c1-31-24(30)19-8-4-5-9-21(19)26-22(28)20-14-27(16-12-10-15(25)11-13-16)23(29)18-7-3-2-6-17(18)20/h2-14H,1H3,(H,26,28)