
 CHEMBL439867

 53 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL439867

>  <PubChem CID>
44404147

>  <Formula>
C23H26N2O2

>  <Molecular Weight>
362.473000

>  <IUPAC Name>
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] 1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN2CCC1[C@H](C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22?/m0/s1

>  <InChI Key>
FBOUYBDGKBSUES-HMTLIYDFSA-N

