5-Carboxypentyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

CAS Registry Number®

173443-27-1

CAS Name

5-Carboxypentyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Molecular Formula

C22H29NO6

Molecular Mass

403.47

Cite this Page

5-Carboxypentyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=173443-27-1 (retrieved 2024-11-25) (CAS RN: 173443-27-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H29NO6/c1-23-16-11-12-17(23)20(22(27)28-13-7-3-6-10-19(24)25)18(14-16)29-21(26)15-8-4-2-5-9-15/h2,4-5,8-9,16-18,20H,3,6-7,10-14H2,1H3,(H,24,25)/t16-,17+,18-,20+/m0/s1

InChIKey

InChIKey=SORJFXHTZLIBBZ-HLNWXESRSA-N

SMILES

O(C(=O)C1=CC=CC=C1)[C@@H]2[C@H](C(OCCCCCC(O)=O)=O)[C@@]3(N(C)[C@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1C(=O)OCCCCCC(=O)O)C=3C=CC=CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, 5-carboxypentyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, 5-carboxypentyl ester, [1R-(exo,exo)]-
  • 5-Carboxypentyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

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