ethyl 2-[2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-(2-methyl-1-oxidanylidene-isoquinolin-5-yl)oxyethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(2-methyl-1-oxo-5-isoquinolyl)oxy]acetyl]amino]benzoate CAS Name: 2-[[2-[(2-methyl-1-oxo-5-isoquinolinyl)oxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-keto-2-methyl-5-isoquinolyl)oxy]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC3=C2C=CN(C3=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC2=CC=CC3=C2C=CN(C3=O)C

InChI

InChI=1S/C21H20N2O5/c1-3-27-21(26)16-7-4-5-9-17(16)22-19(24)13-28-18-10-6-8-15-14(18)11-12-23(2)20(15)25/h4-12H,3,13H2,1-2H3,(H,22,24)