ethyl 2-[2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O6/c1-3-30-21(27)13-31-18-6-4-5-16-15(18)9-10-25(22(16)28)12-20(26)24-17-11-14(23)7-8-19(17)29-2/h4-11H,3,12-13H2,1-2H3,(H,24,26)