(phenylmethyl) N-[(2S,3R)-1-cyclohexyl-4-iodanyl-3-oxidanyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-1-cyclohexyl-4-iodanyl-3-oxidanyl-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-iodo-propyl]carbamate CAS Name: N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-iodobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-iodobutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-iodo-propyl]carbamic acid benzyl ester Formula: C18H26INO3 MolecularWeight: 431.30841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(CI)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C[C@@H]([C@H](CI)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H26INO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h2,5-6,9-10,14,16-17,21H,1,3-4,7-8,11-13H2,(H,20,22)/t16-,17-/m0/s1