
 CHEMBL2022576

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2022576

>  <PubChem CID>
23111682

>  <Formula>
C32H30O5

>  <Molecular Weight>
494.587000

>  <IUPAC Name>
2-[6-[[3-(2,6-dimethyl-4-phenylmethoxyphenyl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCC5=CC=CC=C5

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H30O5/c1-21-13-28(36-18-23-7-4-3-5-8-23)14-22(2)32(21)25-10-6-9-24(15-25)19-35-27-11-12-29-26(16-31(33)34)20-37-30(29)17-27/h3-15,17,26H,16,18-20H2,1-2H3,(H,33,34)

>  <InChI Key>
FXGGUASZKJPIEA-UHFFFAOYSA-N

