
 CHEMBL3318831

106111  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3318831

>  <PubChem CID>
118709159

>  <Formula>
C46H48Cl2F2N2O6

>  <Molecular Weight>
833.795000

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

>  <XlogP>
8.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCC(=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)CCC(=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/C46H48Cl2F2N2O6/c47-37-13-9-35(10-14-37)45(23-29-51(30-24-45)27-1-3-41(53)33-5-17-39(49)18-6-33)57-43(55)21-22-44(56)58-46(36-11-15-38(48)16-12-36)25-31-52(32-26-46)28-2-4-42(54)34-7-19-40(50)20-8-34/h5-20H,1-4,21-32H2

>  <InChI Key>
FCLHHKLNBKMBPS-UHFFFAOYSA-N

