(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate

Systemtic Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-1-tert-butoxycarbonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate CAS Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[3-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-tert-butoxycarbonyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate Formula: C17H19F3NO4- MolecularWeight: 358.33227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C(C1)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H20F3NO4/c1-16(2,3)25-15(24)21-8-12(13(9-21)14(22)23)10-5-4-6-11(7-10)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/p-1/t12-,13+/m0/s1