(2R,4S)-4-methoxy-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-4-methoxy-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-4-methoxy-1-[3-(trifluoromethyl)-2-pyridyl]pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-methoxy-1-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-4-methoxy-1-[3-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-methoxy-1-[3-(trifluoromethyl)-2-pyridyl]pyrrolidine-2-carboxylate Formula: C12H12F3N2O3- MolecularWeight: 289.23049

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C2=C(C=CC=N2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CO[C@H]1C[C@@H](N(C1)C2=C(C=CC=N2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C12H13F3N2O3/c1-20-7-5-9(11(18)19)17(6-7)10-8(12(13,14)15)3-2-4-16-10/h2-4,7,9H,5-6H2,1H3,(H,18,19)/p-1/t7-,9+/m0/s1