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(3S,5R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

ChemSpider ID: 23126944
Molecular Formula: C16H19NO4
Average mass: 289.326385 Da
Monoisotopic mass: 289.131409 Da
Systematic name

(1R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
SMILES and InChIs

SMILES:

CN1[C@@H]2CCC1C([C@H](C2)OC(=O)c3ccccc3)C(=O)O Copied

Std. InChI:

InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12?,13+,14?/m1/s1 Copied

Std. InChIKey:

GVGYEFKIHJTNQZ-ZIHBUVQPSA-N Copied
Cite this record
CSID:23126944, http://www.chemspider.com/Chemical-Structure.23126944.html (accessed 08:13, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(3S,5R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (3S,5R)-

3-Benzoyloxy-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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