(3S,4R)-4-[2,5-bis(chloranyl)phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate

Systemtic Name: (3S,4R)-4-[2,5-bis(chloranyl)phenyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Openeye Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S,4R)-4-(2,5-dichlorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate Traditional Name: (3S,4R)-1-tert-butoxycarbonyl-4-(2,5-dichlorophenyl)pyrrolidine-3-carboxylate Formula: C16H18Cl2NO4- MolecularWeight: 359.22442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-11(12(8-19)14(20)21)10-6-9(17)4-5-13(10)18/h4-6,11-12H,7-8H2,1-3H3,(H,20,21)/p-1/t11-,12+/m0/s1