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

Systemtic Name: methyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolyl]oxy]acetate CAS Name: 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H17F3N2O5 MolecularWeight: 434.36529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O5/c1-30-19(28)12-31-17-4-2-3-16-15(17)9-10-26(20(16)29)11-18(27)25-14-7-5-13(6-8-14)21(22,23)24/h2-10H,11-12H2,1H3,(H,25,27)