
 CHEMBL3318840

142147  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3318840

>  <PubChem CID>
118709168

>  <Formula>
C58H72Cl2F2N2O6

>  <Molecular Weight>
1002.119000

>  <IUPAC Name>
bis[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] hexadecanedioate

>  <XlogP>
14.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCCCCCCCCCCCCCC(=O)OC3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl)CCCC(=O)C6=CC=C(C=C6)F

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCCCCCCCCCCCCCC(=O)OC3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)Cl)CCCC(=O)C6=CC=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C58H72Cl2F2N2O6/c59-49-27-23-47(24-28-49)57(35-41-63(42-36-57)39-13-15-53(65)45-19-31-51(61)32-20-45)69-55(67)17-11-9-7-5-3-1-2-4-6-8-10-12-18-56(68)70-58(48-25-29-50(60)30-26-48)37-43-64(44-38-58)40-14-16-54(66)46-21-33-52(62)34-22-46/h19-34H,1-18,35-44H2

>  <InChI Key>
APANCCIVVADHPY-UHFFFAOYSA-N

