propan-2-yl (2R,3R)-4-iodanyl-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: propan-2-yl (2R,3R)-4-iodanyl-8-methyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate Openeye Name: isopropyl (2R,3R)-3-benzoyloxy-4-iodo-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2R,3R)-3-benzoyloxy-4-iodo-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (2R,3R)-3-benzoyloxy-4-iodo-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2R,3R)-3-benzoyloxy-4-iodo-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid isopropyl ester Formula: C19H24INO4 MolecularWeight: 457.30263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2CCC(N2C)C(C1OC(=O)C3=CC=CC=C3)I

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@H](C(C2CCC1N2C)I)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24INO4/c1-11(2)24-19(23)15-13-9-10-14(21(13)3)16(20)17(15)25-18(22)12-7-5-4-6-8-12/h4-8,11,13-17H,9-10H2,1-3H3/t13?,14?,15-,16?,17-/m1/s1