
 CHEMBL363984

 56 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL363984

>  <PubChem CID>
21974528

>  <Formula>
C27H23NO5

>  <Molecular Weight>
441.483000

>  <IUPAC Name>
2-[1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CC5=CC=CC=C5O4)CC(=O)O

>  <Isomeric SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CC5=CC=CC=C5O4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H23NO5/c1-17-13-23-19(15-26(29)30)6-4-7-24(23)28(17)27(31)18-9-11-21(12-10-18)32-16-22-14-20-5-2-3-8-25(20)33-22/h2-13,22H,14-16H2,1H3,(H,29,30)

>  <InChI Key>
PUNPVQHDYGWYHY-UHFFFAOYSA-N

