
 CHEMBL545036

 57 59  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  1 31  1  0  0  0
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  3  4  1  0  0  0
  3 20  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL545036

>  <PubChem CID>
45261353

>  <Formula>
C26H28ClNO

>  <Molecular Weight>
405.966000

>  <IUPAC Name>
4-(4-phenoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]piperidine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1C2=CC=C(C=C2)OC3=CC=CC=C3)CC=CC4=CC=CC=C4.Cl

>  <Isomeric SMILES>
C1CN(CCC1C2=CC=C(C=C2)OC3=CC=CC=C3)C/C=C/C4=CC=CC=C4.Cl

>  <InChI Std. ID>
InChI=1S/C26H27NO.ClH/c1-3-8-22(9-4-1)10-7-19-27-20-17-24(18-21-27)23-13-15-26(16-14-23)28-25-11-5-2-6-12-25;/h1-16,24H,17-21H2;1H/b10-7+;

>  <InChI Key>
AIMZYYBUQBXING-HCUGZAAXSA-N

