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

Systemtic Name: (2S,4S)-4-(3-iodanylphenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S,4S)-1-tert-butoxycarbonyl-4-(3-iodophenoxy)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-(3-iodophenoxy)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S,4S)-4-(3-iodophenoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-1-tert-butoxycarbonyl-4-(3-iodophenoxy)pyrrolidine-2-carboxylate Formula: C16H19INO5- MolecularWeight: 432.23023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20INO5/c1-16(2,3)23-15(21)18-9-12(8-13(18)14(19)20)22-11-6-4-5-10(17)7-11/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/p-1/t12-,13-/m0/s1