methyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]amino]benzoate CAS Name: 2-[[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]amino]benzoate Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]amino]benzoic acid methyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C26H22N2O4/c1-16-12-13-18(14-17(16)2)28-15-22(19-8-4-5-9-20(19)25(28)30)24(29)27-23-11-7-6-10-21(23)26(31)32-3/h4-15H,1-3H3,(H,27,29)