
 CHEMBL3318835

118123  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3318835

>  <PubChem CID>
118709163

>  <Formula>
C50H56Cl2F2N2O6

>  <Molecular Weight>
889.903000

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

>  <XlogP>
10.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)OC(=O)CCCCCCC(=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)CCCCCCC(=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/C50H56Cl2F2N2O6/c51-41-19-15-39(16-20-41)49(27-33-55(34-28-49)31-5-7-45(57)37-11-23-43(53)24-12-37)61-47(59)9-3-1-2-4-10-48(60)62-50(40-17-21-42(52)22-18-40)29-35-56(36-30-50)32-6-8-46(58)38-13-25-44(54)26-14-38/h11-26H,1-10,27-36H2

>  <InChI Key>
DPDUJCCKQWFBBQ-UHFFFAOYSA-N

