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

Systemtic Name: ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]isoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[1-keto-2-[2-keto-2-[4-(trifluoromethyl)anilino]ethyl]-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C23H21F3N2O5 MolecularWeight: 462.41845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O5/c1-3-32-22(31)14(2)33-19-6-4-5-18-17(19)11-12-28(21(18)30)13-20(29)27-16-9-7-15(8-10-16)23(24,25)26/h4-12,14H,3,13H2,1-2H3,(H,27,29)