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

Systemtic Name: ethyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O4/c1-4-33-27(32)22-11-7-8-12-24(22)28-25(30)23-16-29(19-14-13-17(2)18(3)15-19)26(31)21-10-6-5-9-20(21)23/h5-16H,4H2,1-3H3,(H,28,30)