(phenylmethyl) 3-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-iodanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-iodo-pyrrolidine-1-carboxylate CAS Name: 3-iodo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate Traditional Name: 2-(tert-butoxycarbonylamino)-3-iodo-pyrrolidine-1-carboxylic acid benzyl ester Formula: C17H23IN2O4 MolecularWeight: 446.27999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(CCN1C(=O)OCC2=CC=CC=C2)I

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(CCN1C(=O)OCC2=CC=CC=C2)I

InChI

InChI=1S/C17H23IN2O4/c1-17(2,3)24-15(21)19-14-13(18)9-10-20(14)16(22)23-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,21)