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

Systemtic Name: (3S,4R)-4-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-4-(3-bromophenyl)-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-4-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-(3-bromophenyl)-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate Formula: C16H19BrNO4- MolecularWeight: 369.23036

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO4/c1-16(2,3)22-15(21)18-8-12(13(9-18)14(19)20)10-5-4-6-11(17)7-10/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/p-1/t12-,13+/m0/s1