4-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[N-methyl-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]anilino]butyric acid Formula: C14H13F6NO4 MolecularWeight: 373.247739

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CCC(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CCC(=O)O

InChI

InChI=1S/C14H13F6NO4/c1-21(10(22)6-7-11(23)24)9-4-2-8(3-5-9)12(25,13(15,16)17)14(18,19)20/h2-5,25H,6-7H2,1H3,(H,23,24)