ethyl 3,3,3-tris(fluoranyl)-2-[4-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-[(4-methylphenyl)carbonylamino]propan-2-yl]amino]phenyl]-2-oxidanyl-propanoate

Systemtic Name: ethyl 3,3,3-tris(fluoranyl)-2-[4-[[1,1,1,3,3,3-hexakis(fluoranyl)-2-[(4-methylphenyl)carbonylamino]propan-2-yl]amino]phenyl]-2-oxidanyl-propanoate Openeye Name: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[[2,2,2-trifluoro-1-[(4-methylbenzoyl)amino]-1-(trifluoromethyl)ethyl]amino]phenyl]propanoate CAS Name: 3,3,3-trifluoro-2-[4-[[1,1,1,3,3,3-hexafluoro-2-[[(4-methylphenyl)-oxomethyl]amino]propan-2-yl]amino]phenyl]-2-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 3,3,3-trifluoro-2-[4-[[1,1,1,3,3,3-hexafluoro-2-[(4-methylbenzoyl)amino]propan-2-yl]amino]phenyl]-2-hydroxypropanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[4-[[2,2,2-trifluoro-1-(p-toluoylamino)-1-(trifluoromethyl)ethyl]amino]phenyl]propionic acid ethyl ester Formula: C22H19F9N2O4 MolecularWeight: 546.382889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)C)(C(F)(F)F)O

InChI

InChI=1S/C22H19F9N2O4/c1-3-37-17(35)18(36,20(23,24)25)14-8-10-15(11-9-14)32-19(21(26,27)28,22(29,30)31)33-16(34)13-6-4-12(2)5-7-13/h4-11,32,36H,3H2,1-2H3,(H,33,34)