
 CHEMBL1683927

 71 73  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1683927

>  <PubChem CID>
53323772

>  <Formula>
C27H39N3O2

>  <Molecular Weight>
437.628000

>  <IUPAC Name>
[1-(9-aminononyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCCCCCN

>  <Isomeric SMILES>
C1CN(CCC1OC(=O)NC2=CC=CC=C2C3=CC=CC=C3)CCCCCCCCCN

>  <InChI Std. ID>
InChI=1S/C27H39N3O2/c28-19-11-4-2-1-3-5-12-20-30-21-17-24(18-22-30)32-27(31)29-26-16-10-9-15-25(26)23-13-7-6-8-14-23/h6-10,13-16,24H,1-5,11-12,17-22,28H2,(H,29,31)

>  <InChI Key>
AKXIVMUNQXHFIC-UHFFFAOYSA-N

