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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > cocaethylene
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > cocaethylene

Preferred term

cocaethylene  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C18H23NO4

inchi

  • InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1

inchikey

  • NMPOSNRHZIWLLL-XUWVNRHRSA-N

mass

  • 317.385

monoisotopicmass

  • 317.16271

smiles

  • O([C@@H]1[C@@H]([C@@]2(N([C@@](CC2)(C1)[H])C)[H])C(OCC)=O)C(=O)C3=CC=CC=C3

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:174315

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