iodanylmethane; methyl (1S,3S,4R,5R)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: iodanylmethane; methyl (1S,3S,4R,5R)-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: iodomethane; methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; iodomethane IUPAC Name: iodomethane; methyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester; iodomethane Formula: C18H24INO4 MolecularWeight: 445.29193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.CI

Isomeric SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.CI

InChI

InChI=1S/C17H21NO4.CH3I/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;1-2/h3-7,12-15H,8-10H2,1-2H3;1H3/t12-,13+,14-,15+;/m0./s1