
 CHEMBL369859

 84 88  0  0  0  0  0  0  0  0999 V2000
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    1.0403   11.1112   -2.3479 H   0  0  0  0  0
    0.0001   10.2507   -1.2430 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL369859

>  <PubChem CID>
44382659

>  <Formula>
C34H39Cl2N3O6

>  <Molecular Weight>
656.601000

>  <IUPAC Name>
1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-[2-(3,4,5-trimethoxyphenyl)acetyl]-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)CC(=O)N2CC(OC2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)CC(=O)N2C[C@@](OC2)(CCN3CCC(CC3)(C4=CC=CC=C4)C(=O)N)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C34H39Cl2N3O6/c1-42-28-17-23(18-29(43-2)31(28)44-3)19-30(40)39-21-34(45-22-39,25-9-10-26(35)27(36)20-25)13-16-38-14-11-33(12-15-38,32(37)41)24-7-5-4-6-8-24/h4-10,17-18,20H,11-16,19,21-22H2,1-3H3,(H2,37,41)/t34-/m0/s1

>  <InChI Key>
AMMWQWYRXWMQMW-UMSFTDKQSA-N

