methyl 2-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(3-chloro-4-methyl-anilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-13-6-7-14(10-17(13)22)23-19(25)11-24-9-8-15-16(21(24)27)4-3-5-18(15)29-12-20(26)28-2/h3-10H,11-12H2,1-2H3,(H,23,25)