
 SCHEMBL4089524

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL4089524

>  <PubChem CID>
23150257

>  <Formula>
C28H36N2O

>  <Molecular Weight>
416.609000

>  <IUPAC Name>
1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-ynyl]piperidine

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#CCN4CCCCC4

>  <Isomeric SMILES>
C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#CCN4CCCCC4

>  <InChI Std. ID>
InChI=1S/C28H36N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h10-17H,1-6,8,18-24H2

>  <InChI Key>
AFGAQJQQTWMXNX-UHFFFAOYSA-N

