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

Systemtic Name: ethyl 2-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H22N2O6/c1-3-29-21(26)14-30-19-9-5-8-18-17(19)10-11-24(22(18)27)13-20(25)23-15-6-4-7-16(12-15)28-2/h4-12H,3,13-14H2,1-2H3,(H,23,25)