Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylate

CAS Registry Number®

180468-34-2
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CAS Name

Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylate

Molecular Formula

C18H21FINO2

Molecular Mass

429.27

Cite this Page

Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-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/ChemicalDetail.aspx?ref=180468-34-2 (retrieved 2024-04-23) (CAS RN: 180468-34-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H21FINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+/t14-,15+,16+,17-/m0/s1

InChIKey

InChIKey=GTQLIPQFXVKRKJ-UNSMHXHVSA-N

SMILES

C(OC)(=O)[C@@H]1[C@@]2(N(C/C=C/I)[C@](C[C@@H]1C3=CC=C(F)C=C3)(CC2)[H])[H]

Canonical SMILES

O=C(OC)C1C(C2=CC=C(F)C=C2)CC3N(CC=CI)C1CC3

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-, methyl ester, (1R,2S,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-(3-iodo-2-propenyl)-, methyl ester, [1R-[1α,2α,3α,5α,8(E)]]-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propenyl]-, methyl ester, (1R,2S,3S,5S)-
  • Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-[(2E)-3-iodo-2-propen-1-yl]-8-azabicyclo[3.2.1]octane-2-carboxylate
  • Altropane

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