Cinnamoylcocaine

CAS Registry Number®

521-67-5

CAS Name

Cinnamoylcocaine

Molecular Formula

C19H23NO4

Molecular Mass

329.39

Cite this Page

Cinnamoylcocaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=521-67-5 (retrieved 2024-11-26) (CAS RN: 521-67-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/t14-,15+,16-,18+/m0/s1

InChIKey

InChIKey=MQIXMJWNEKUAOZ-UIBIWLFHSA-N

SMILES

C(OC)(=O)[C@@H]1[C@@]2(N(C)[C@@](CC2)(C[C@@H]1OC(C=CC3=CC=CC=C3)=O)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-[(1-oxo-3-phenyl-2-propen-1-yl)oxy]-, methyl ester, (1R,2R,3S,5S)-
  • Ecgonine, methyl ester, cinnamate (ester)
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, [1R-(exo,exo)]-
  • Ecgonine, methyl ester, cinnamate
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-methyl-3-[(1-oxo-3-phenyl-2-propenyl)oxy]-, methyl ester, (1R,2R,3S,5S)-

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