ethyl 3,3,3-tris(fluoranyl)-2-oxidanyl-2-[4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]phenyl]propanoate

Systemtic Name: ethyl 3,3,3-tris(fluoranyl)-2-oxidanyl-2-[4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]carbonylamino]phenyl]propanoate Openeye Name: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[4-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3,3,3-trifluoro-2-hydroxy-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]propanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[4-[(2,3,4,5,6-pentafluorobenzoyl)amino]phenyl]propionic acid ethyl ester Formula: C18H11F8NO4 MolecularWeight: 457.271466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2F)F)F)F)F)(C(F)(F)F)O

InChI

InChI=1S/C18H11F8NO4/c1-2-31-16(29)17(30,18(24,25)26)7-3-5-8(6-4-7)27-15(28)9-10(19)12(21)14(23)13(22)11(9)20/h3-6,30H,2H2,1H3,(H,27,28)