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

Systemtic Name: methyl 2-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(2,4-dimethylanilino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-14-7-8-18(15(2)11-14)23-20(25)12-24-10-9-16-17(22(24)27)5-4-6-19(16)29-13-21(26)28-3/h4-11H,12-13H2,1-3H3,(H,23,25)