methyl (2S)-5-cyano-4-morpholin-4-yl-2-oxidanyl-2-(trifluoromethyl)pent-4-enoate

Systemtic Name: methyl (2S)-5-cyano-4-morpholin-4-yl-2-oxidanyl-2-(trifluoromethyl)pent-4-enoate Openeye Name: methyl (2S)-5-cyano-2-hydroxy-4-morpholino-2-(trifluoromethyl)pent-4-enoate CAS Name: (2S)-5-cyano-2-hydroxy-4-(4-morpholinyl)-2-(trifluoromethyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (2S)-5-cyano-2-hydroxy-4-morpholin-4-yl-2-(trifluoromethyl)pent-4-enoate Traditional Name: (2S)-5-cyano-2-hydroxy-4-morpholino-2-(trifluoromethyl)pent-4-enoic acid methyl ester Formula: C12H15F3N2O4 MolecularWeight: 308.25371

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=CC#N)N1CCOCC1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)[C@@](CC(=CC#N)N1CCOCC1)(C(F)(F)F)O

InChI

InChI=1S/C12H15F3N2O4/c1-20-10(18)11(19,12(13,14)15)8-9(2-3-16)17-4-6-21-7-5-17/h2,19H,4-8H2,1H3/t11-/m0/s1