methyl (1R,3S)-3-(4-iodanyl-2-oxidanyl-phenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-3-(4-iodanyl-2-oxidanyl-phenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-3-(2-hydroxy-4-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-3-[(2-hydroxy-4-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(2-hydroxy-4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-3-(2-hydroxy-4-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H20INO5 MolecularWeight: 445.24887

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=C(C=C(C=C3)I)O)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CCC1C([C@H](C2)OC(=O)C3=C(C=C(C=C3)I)O)C(=O)OC

InChI

InChI=1S/C17H20INO5/c1-19-10-4-6-12(19)15(17(22)23-2)14(8-10)24-16(21)11-5-3-9(18)7-13(11)20/h3,5,7,10,12,14-15,20H,4,6,8H2,1-2H3/t10-,12?,14+,15?/m1/s1