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

Systemtic Name: 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 Openeye Name: methyl 2-[4-[[1-ethoxycarbonyl-2,2,2-trifluoro-1-(propanoylamino)ethyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 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 IUPAC Name: methyl 2-[4-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-[4-[(1-carbethoxy-2,2,2-trifluoro-1-propionamido-ethyl)amino]phenyl]-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C18H20F6N2O6 MolecularWeight: 474.351619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O

Isomeric SMILES

CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)C(C(=O)OC)(C(F)(F)F)O

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)