methyl (2S,4R)-4-[2-fluoranyl-5-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[2-fluoranyl-5-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylic acid methyl ester Formula: C13H13F4NO3 MolecularWeight: 307.240833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1)OC2=C(C=CC(=C2)C(F)(F)F)F

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1)OC2=C(C=CC(=C2)C(F)(F)F)F

InChI

InChI=1S/C13H13F4NO3/c1-20-12(19)10-5-8(6-18-10)21-11-4-7(13(15,16)17)2-3-9(11)14/h2-4,8,10,18H,5-6H2,1H3/t8-,10+/m1/s1