methyl (3S,4S)-3-iodanyl-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4S)-3-iodanyl-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4S)-3-iodo-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4S)-3-iodo-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-iodo-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4S)-3-iodo-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H20INO2 MolecularWeight: 385.23997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2CCC1[C@H]([C@@](C2)(C3=CC=CC=C3)I)C(=O)OC

InChI

InChI=1S/C16H20INO2/c1-18-12-8-9-13(18)14(15(19)20-2)16(17,10-12)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12?,13?,14-,16+/m0/s1