
 CHEMBL3922202

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3922202

>  <PubChem CID>
134140355

>  <Formula>
C27H34N2O6

>  <Molecular Weight>
482.577000

>  <IUPAC Name>
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-(2-hydroxypropyl)amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(CN(CC1=CC(=C(C=C1)OCCN2C(=O)CCC2=O)OC)C(C)C3=CC4=C(C=C3)OCC4)O

>  <Isomeric SMILES>
CC(CN(CC1=CC(=C(C=C1)OCCN2C(=O)CCC2=O)OC)C(C)C3=CC4=C(C=C3)OCC4)O

>  <InChI Std. ID>
InChI=1S/C27H34N2O6/c1-18(30)16-28(19(2)21-5-7-23-22(15-21)10-12-34-23)17-20-4-6-24(25(14-20)33-3)35-13-11-29-26(31)8-9-27(29)32/h4-7,14-15,18-19,30H,8-13,16-17H2,1-3H3

>  <InChI Key>
BYLFTEJATWWSIC-UHFFFAOYSA-N

