
 CHEMBL365829

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL365829

>  <PubChem CID>
21974374

>  <Formula>
C28H25NO5

>  <Molecular Weight>
455.510000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCC5=CC=CC=C5O4)CC(=O)O

>  <Isomeric SMILES>
CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CCC5=CC=CC=C5O4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C28H25NO5/c1-18-15-24-21(16-27(30)31)6-4-7-25(24)29(18)28(32)20-10-12-22(13-11-20)33-17-23-14-9-19-5-2-3-8-26(19)34-23/h2-8,10-13,15,23H,9,14,16-17H2,1H3,(H,30,31)

>  <InChI Key>
GWYIZWZVKYKMGF-UHFFFAOYSA-N

