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

Systemtic Name: ethyl 2-[[2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carbonyl]amino]acetic acid ethyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)CNC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H22N2O4/c1-4-28-20(25)12-23-21(26)19-13-24(16-10-9-14(2)15(3)11-16)22(27)18-8-6-5-7-17(18)19/h5-11,13H,4,12H2,1-3H3,(H,23,26)