(2S,4S)-4-(4-bromanyl-3-fluoranyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S,4S)-4-(4-bromanyl-3-fluoranyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-4-(4-bromo-3-fluoro-phenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(4-bromo-3-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(4-bromo-3-fluorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(4-bromo-3-fluoro-phenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate Formula: C16H18BrFNO5- MolecularWeight: 403.220223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)[O-])OC2=CC(=C(C=C2)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)[O-])OC2=CC(=C(C=C2)Br)F

InChI

InChI=1S/C16H19BrFNO5/c1-16(2,3)24-15(22)19-8-10(7-13(19)14(20)21)23-9-4-5-11(17)12(18)6-9/h4-6,10,13H,7-8H2,1-3H3,(H,20,21)/p-1/t10-,13-/m0/s1