methyl (2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: (2S)-3,3,3-trifluoro-2-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3,3,3-trifluoro-2-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3,3,3-trifluoro-2-hydroxy-propionic acid methyl ester Formula: C12H12F3NO5 MolecularWeight: 307.22259

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)(NC(=O)OCC1=CC=CC=C1)O

Isomeric SMILES

COC(=O)[C@](C(F)(F)F)(NC(=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C12H12F3NO5/c1-20-9(17)11(19,12(13,14)15)16-10(18)21-7-8-5-3-2-4-6-8/h2-6,19H,7H2,1H3,(H,16,18)/t11-/m0/s1