methyl 2-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(3-methoxyanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(3-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-methoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(m-anisidino)ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

InChI

InChI=1S/C21H20N2O6/c1-27-15-6-3-5-14(11-15)22-19(24)12-23-10-9-16-17(21(23)26)7-4-8-18(16)29-13-20(25)28-2/h3-11H,12-13H2,1-2H3,(H,22,24)