methyl (3S)-3-(3-iodanylphenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S)-3-(3-iodanylphenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S)-3-(3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S)-3-[(3-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S)-3-(3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S)-3-(3-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H20INO4 MolecularWeight: 429.24947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC(=CC=C3)I)C(=O)OC

Isomeric SMILES

CN1C2CCC1C([C@H](C2)OC(=O)C3=CC(=CC=C3)I)C(=O)OC

InChI

InChI=1S/C17H20INO4/c1-19-12-6-7-13(19)15(17(21)22-2)14(9-12)23-16(20)10-4-3-5-11(18)8-10/h3-5,8,12-15H,6-7,9H2,1-2H3/t12?,13?,14-,15?/m0/s1