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

Systemtic Name: (2S,4S)-4-(4-bromanyl-2-chloranyl-phenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-4-(4-bromo-2-chloro-phenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(4-bromo-2-chlorophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(4-bromo-2-chlorophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-(4-bromo-2-chloro-phenoxy)-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylate Formula: C16H18BrClNO5- MolecularWeight: 419.67482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrClNO5/c1-16(2,3)24-15(22)19-8-10(7-12(19)14(20)21)23-13-5-4-9(17)6-11(13)18/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/p-1/t10-,12-/m0/s1