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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > (4s)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3r)-1-azabicyclo[2.2.2]octan-3-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > (4s)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3r)-1-azabicyclo[2.2.2]octan-3-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > (4s)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3r)-1-azabicyclo[2.2.2]octan-3-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > (4s)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3r)-1-azabicyclo[2.2.2]octan-3-yl] ester

Preferred term

(4s)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3r)-1-azabicyclo[2.2.2]octan-3-yl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C23H26N2O2

inchi

  • InChI=1S/C23H26N2O2/c26-23(27-20-15-25-12-10-16(20)11-13-25)22-21(17-6-2-1-3-7-17)19-9-5-4-8-18(19)14-24-22/h1-9,16,20-22,24H,10-15H2/t20-,21-,22?/m0/s1

inchikey

  • IGCKSKSSHBPKHO-LGTSYYJHSA-N

mass

  • 362.466

monoisotopicmass

  • 362.19943

smiles

  • C1CN2CCC1[C@H](C2)OC(=O)C3[C@H](C4=CC=CC=C4CN3)C5=CC=CC=C5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91756

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