ethyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxidanylidene-isoquinolin-4-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carbonyl]amino]acetate CAS Name: 2-[[[2-(4-chlorophenyl)-1-oxo-4-isoquinolinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)-1-oxoisoquinoline-4-carbonyl]amino]acetate Traditional Name: 2-[[2-(4-chlorophenyl)-1-keto-isoquinoline-4-carbonyl]amino]acetic acid ethyl ester Formula: C20H17ClN2O4 MolecularWeight: 384.81298

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4/c1-2-27-18(24)11-22-19(25)17-12-23(14-9-7-13(21)8-10-14)20(26)16-6-4-3-5-15(16)17/h3-10,12H,2,11H2,1H3,(H,22,25)