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

Systemtic Name: ethyl (3S,4R)-3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H22INO4 MolecularWeight: 443.27605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22INO4/c1-3-23-18(22)16-14-9-8-13(20(14)2)10-15(16)24-17(21)11-4-6-12(19)7-5-11/h4-7,13-16H,3,8-10H2,1-2H3/t13?,14?,15-,16+/m0/s1