
 CHEMBL354183

 79 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL354183

>  <PubChem CID>
44382007

>  <Formula>
C33H36Cl2N2O6

>  <Molecular Weight>
627.559000

>  <IUPAC Name>
[(5R)-5-(3,4-dichlorophenyl)-5-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CO4)C6=CC(=C(C=C6)Cl)Cl

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CO4)C6=CC(=C(C=C6)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H36Cl2N2O6/c1-39-28-16-23(17-29(40-2)30(28)41-3)31(38)37-20-33(43-21-37,24-8-9-26(34)27(35)18-24)12-15-36-13-10-32(11-14-36)25-7-5-4-6-22(25)19-42-32/h4-9,16-18H,10-15,19-21H2,1-3H3/t33-/m0/s1

>  <InChI Key>
FCBBIBBWMCTBQW-XIFFEERXSA-N

