
 CHEMBL3393789

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3393789

>  <PubChem CID>
118725675

>  <Formula>
C31H35ClFNO3

>  <Molecular Weight>
524.073000

>  <IUPAC Name>
[(1R)-4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butyl] 4-phenylbutanoate

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C3=CC=C(C=C3)F)OC(=O)CCCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC[C@H](C3=CC=C(C=C3)F)OC(=O)CCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1

>  <InChI Key>
BYFXZIUNDKEGTH-GDLZYMKVSA-N

