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CHEBI:91756 - (4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester

ChEBI IDCHEBI:91756
ChEBI Name(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester
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FormulaC23H26N2O2
Net Charge0
Average Mass362.473
Monoisotopic Mass362.19943
SMILESO=C(O[C@H]1CN2CCC1CC2)C1NCc2ccccc2[C@@H]1c1ccccc1
InChIInChI=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
InChIKeyIGCKSKSSHBPKHO-LGTSYYJHSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester (CHEBI:91756) is a isoquinolines (CHEBI:24922)
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