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

Systemtic Name: methyl (1R,3S,4R,5R)-8-(3-methylbut-2-enyl)-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride Openeye Name: methyl (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride CAS Name: (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylate hydrochloride Traditional Name: (1R,3S,4R,5R)-3-benzoyloxy-8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester hydrochloride Formula: C21H28ClNO4 MolecularWeight: 393.90432

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.Cl

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.Cl

InChI

InChI=1S/C21H27NO4.ClH/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;1H/t16-,17-,18+,19-;/m1./s1