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

Systemtic Name: propan-2-yl (3S,4R)-3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: isopropyl (3S,4R)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-[(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-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-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)CC1OC(=O)C3=CC=C(C=C3)I

Isomeric SMILES

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

InChI

InChI=1S/C19H24INO4/c1-11(2)24-19(23)17-15-9-8-14(21(15)3)10-16(17)25-18(22)12-4-6-13(20)7-5-12/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15?,16-,17+/m0/s1