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Substance Name: Cinnamoylcocaine
RN: 521-67-5
InChIKey: MQIXMJWNEKUAOZ-UYCDZTDFSA-N

Molecular Formula

  • C19-H23-N-O4

Molecular Weight

  • 329.394
 
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Names and Synonyms

Name of Substance

  • Cinnamoylcocaine

Systematic Name

  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 8-methyl-3-((1-oxo-3-phenyl-2-propenyl)oxy)-, methyl ester, (1R-(exo,exo))-

Registry Numbers

CAS Registry Number

  • 521-67-5

System Generated Number

  • 0000521675

Structure Descriptors

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/b11-8+/t14-,15+,16-,18+/m0/s1

InChIKey

MQIXMJWNEKUAOZ-UYCDZTDFSA-N

Smiles

C1[C@@H]([C@@H]([C@@H]2CC[C@H]1[N@@]2C)C(=O)OC)OC(\C=C\c1ccccc1)=O