methyl (1R,3S,4R,5R)-8-(3-methylbut-2-enyl)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S,4R,5R)-8-(3-methylbut-2-enyl)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC(=CCN1[C@@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H27NO4/c1-14(2)11-12-22-16-9-10-17(22)19(21(24)25-3)18(13-16)26-20(23)15-7-5-4-6-8-15/h4-8,11,16-19H,9-10,12-13H2,1-3H3/t16-,17-,18+,19-/m1/s1