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

Systemtic Name: propan-2-yl (3S,4R)-3-(4-iodanyl-2-oxidanyl-phenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: isopropyl (3S,4R)-3-(2-hydroxy-4-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-[(2-hydroxy-4-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S,4R)-3-(2-hydroxy-4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-(2-hydroxy-4-iodo-benzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid isopropyl ester Formula: C19H24INO5 MolecularWeight: 473.30203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C2CCC(N2C)CC1OC(=O)C3=C(C=C(C=C3)I)O

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@H](CC2CCC1N2C)OC(=O)C3=C(C=C(C=C3)I)O

InChI

InChI=1S/C19H24INO5/c1-10(2)25-19(24)17-14-7-5-12(21(14)3)9-16(17)26-18(23)13-6-4-11(20)8-15(13)22/h4,6,8,10,12,14,16-17,22H,5,7,9H2,1-3H3/t12?,14?,16-,17+/m0/s1