(phenylmethyl) (2S,3S)-3-iodanyl-2-(methoxycarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-3-iodanyl-2-(methoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3S)-3-iodo-2-(methoxycarbonylamino)pyrrolidine-1-carboxylate CAS Name: (2S,3S)-3-iodo-2-(methoxycarbonylamino)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-iodo-2-(methoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: (2S,3S)-2-(carbomethoxyamino)-3-iodo-pyrrolidine-1-carboxylic acid benzyl ester Formula: C14H17IN2O4 MolecularWeight: 404.20025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1C(CCN1C(=O)OCC2=CC=CC=C2)I

Isomeric SMILES

COC(=O)N[C@@H]1[C@H](CCN1C(=O)OCC2=CC=CC=C2)I

InChI

InChI=1S/C14H17IN2O4/c1-20-13(18)16-12-11(15)7-8-17(12)14(19)21-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3,(H,16,18)/t11-,12-/m0/s1