
 CHEMBL554678

 56 58  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL554678

>  <PubChem CID>
11724647

>  <Formula>
C23H31NO

>  <Molecular Weight>
337.507000

>  <IUPAC Name>
1-benzyl-4-(4-phenylbutoxymethyl)piperidine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1COCCCCC2=CC=CC=C2)CC3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1COCCCCC2=CC=CC=C2)CC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H31NO/c1-3-9-21(10-4-1)11-7-8-18-25-20-23-14-16-24(17-15-23)19-22-12-5-2-6-13-22/h1-6,9-10,12-13,23H,7-8,11,14-20H2

>  <InChI Key>
CSCXMSDQXSMINC-UHFFFAOYSA-N

