
 CHEMBL449347

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL449347

>  <PubChem CID>
44368326

>  <Formula>
C28H31NO2

>  <Molecular Weight>
413.561000

>  <IUPAC Name>
(2R,3R)-2-benzhydryl-3-[(2-methoxyphenyl)methoxy]-1-azabicyclo[2.2.2]octane

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1COC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3

>  <Isomeric SMILES>
COC1=CC=CC=C1CO[C@H]2[C@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C28H31NO2/c1-30-25-15-9-8-14-24(25)20-31-28-23-16-18-29(19-17-23)27(28)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-28H,16-20H2,1H3/t27-,28-/m1/s1

>  <InChI Key>
QXSIOQKZUFLLLE-VSGBNLITSA-N

