methyl (2S,4R)-4-(4-cyano-3-fluoranyl-phenoxy)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(4-cyano-3-fluoranyl-phenoxy)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-(4-cyano-3-fluoro-phenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-(4-cyano-3-fluorophenoxy)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(4-cyano-3-fluorophenoxy)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-(4-cyano-3-fluoro-phenoxy)pyrrolidine-2-carboxylic acid methyl ester Formula: C13H13FN2O3 MolecularWeight: 264.252323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2O3/c1-18-13(17)12-5-10(7-16-12)19-9-3-2-8(6-15)11(14)4-9/h2-4,10,12,16H,5,7H2,1H3/t10-,12+/m1/s1