
 CHEMBL171725

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL171725

>  <PubChem CID>
44382268

>  <Formula>
C34H38Cl2N2O6

>  <Molecular Weight>
641.586000

>  <IUPAC Name>
1-[1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(=O)C1(CCN(CC1)CCC2(CN(CO2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(=O)C1(CCN(CC1)CC[C@]2(CN(CO2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H38Cl2N2O6/c1-23(39)33(25-8-6-5-7-9-25)12-15-37(16-13-33)17-14-34(26-10-11-27(35)28(36)20-26)21-38(22-44-34)32(40)24-18-29(41-2)31(43-4)30(19-24)42-3/h5-11,18-20H,12-17,21-22H2,1-4H3/t34-/m0/s1

>  <InChI Key>
CZLBLDYEFUNFIL-UMSFTDKQSA-N

