ethyl (2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: ethyl (2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(2-phenoxyethanoylamino)propanoate Openeye Name: ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-3,3,3-trifluoro-2-hydroxy-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3,3,3-trifluoro-2-hydroxy-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-hydroxy-2-[(2-phenoxyacetyl)amino]propionic acid ethyl ester Formula: C13H14F3NO5 MolecularWeight: 321.24917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(F)(F)F)(NC(=O)COC1=CC=CC=C1)O

Isomeric SMILES

CCOC(=O)[C@](C(F)(F)F)(NC(=O)COC1=CC=CC=C1)O

InChI

InChI=1S/C13H14F3NO5/c1-2-21-11(19)12(20,13(14,15)16)17-10(18)8-22-9-6-4-3-5-7-9/h3-7,20H,2,8H2,1H3,(H,17,18)/t12-/m0/s1