methyl (E)-5-cyano-2-oxidanyl-4-pyrrolidin-1-yl-2-(trifluoromethyl)pent-4-enoate

Systemtic Name: methyl (E)-5-cyano-2-oxidanyl-4-pyrrolidin-1-yl-2-(trifluoromethyl)pent-4-enoate Openeye Name: methyl (E)-5-cyano-2-hydroxy-4-pyrrolidin-1-yl-2-(trifluoromethyl)pent-4-enoate CAS Name: (E)-5-cyano-2-hydroxy-4-(1-pyrrolidinyl)-2-(trifluoromethyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-5-cyano-2-hydroxy-4-pyrrolidin-1-yl-2-(trifluoromethyl)pent-4-enoate Traditional Name: (E)-5-cyano-2-hydroxy-4-pyrrolidino-2-(trifluoromethyl)pent-4-enoic acid methyl ester Formula: C12H15F3N2O3 MolecularWeight: 292.25431

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=CC#N)N1CCCC1)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(C/C(=C\C#N)/N1CCCC1)(C(F)(F)F)O

InChI

InChI=1S/C12H15F3N2O3/c1-20-10(18)11(19,12(13,14)15)8-9(4-5-16)17-6-2-3-7-17/h4,19H,2-3,6-8H2,1H3/b9-4+