(2S)-2-[(4-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-2-[(4-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-tert-butoxycarbonyl-2-[(4-iodophenyl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-2-[(4-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-2-[(4-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-tert-butoxycarbonyl-2-(4-iodobenzyl)pyrrolidine-2-carboxylate Formula: C17H21INO4- MolecularWeight: 430.25741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(CC2=CC=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CC=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C17H22INO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/p-1/t17-/m0/s1