2-[4-[(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester

SpectraBase Compound ID	7H5XT7oRLZC
InChI	InChI=1S/C18H20F6N2O6/c1-4-12(27)26-16(18(22,23)24,14(29)32-5-2)25-11-8-6-10(7-9-11)15(30,13(28)31-3)17(19,20)21/h6-9,25,30H,4-5H2,1-3H3,(H,26,27)
InChIKey	DESCALFOSRXTHV-UHFFFAOYSA-N Google Search
Mol Weight	474.36 g/mol
Molecular Formula	C18H20F6N2O6
Exact Mass	474.122555 g/mol

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SpectraBase Spectrum ID	HLkWpx3GK2c
Name	2-[4-[(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester
Alternate Name(s)	2-[4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(1-oxopropylamino)propan-2-yl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoic acid methyl ester Methyl 2-(4-([1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(propionylamino)ethyl]amino)phenyl)-3,3,3-trifluoro-2-hydroxypropanoate Methyl 2-[4-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(propanoylamino)ethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate Methyl 2-[4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate Methyl 2-[4-[[3-ethoxy-1,1,1-tris(fluoranyl)-3-oxidanylidene-2-(propanoylamino)propan-2-yl]amino]phenyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propanoate
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Formula	C18H20F6N2O6
InChI	InChI=1S/C18H20F6N2O6/c1-4-12(27)26-16(18(22,23)24,14(29)32-5-2)25-11-8-6-10(7-9-11)15(30,13(28)31-3)17(19,20)21/h6-9,25,30H,4-5H2,1-3H3,(H,26,27)
InChIKey	DESCALFOSRXTHV-UHFFFAOYSA-N
Molecular Weight	474.356 g/mol
SMILES	N(c1ccc(C(C(F)(F)F)(O)C(=O)OC)cc1)C(NC(=O)CC)(C(F)(F)F)C(=O)OCC
SPLASH	splash10-0a4l-9313000000-e0246b6ae9ea2921216b
Wiley ID	1468039