
 CHEMBL198449

 53 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL198449

>  <PubChem CID>
11689833

>  <Formula>
C23H26N2O2

>  <Molecular Weight>
362.473000

>  <IUPAC Name>
1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C(=O)O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1C(=O)O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C23H26N2O2/c24-18-23(20-8-3-1-4-9-20,21-10-5-2-6-11-21)14-7-15-25-16-12-19(13-17-25)22(26)27/h1-6,8-11,19H,7,12-17H2,(H,26,27)

>  <InChI Key>
SPPOCCZNANOPDP-UHFFFAOYSA-N

