methyl 2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(4-methylanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(p-toluidino)ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C=CC3=C(C2=O)C=CC=C3OCC(=O)OC

InChI

InChI=1S/C21H20N2O5/c1-14-6-8-15(9-7-14)22-19(24)12-23-11-10-16-17(21(23)26)4-3-5-18(16)28-13-20(25)27-2/h3-11H,12-13H2,1-2H3,(H,22,24)