
 SCHEMBL3309717

 51 53  0  0  0  0  0  0  0  0999 V2000
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    1.3320    2.9434    0.1759 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3309717

>  <PubChem CID>
25160920

>  <Formula>
C22H23F2NO3

>  <Molecular Weight>
387.427000

>  <IUPAC Name>
5,6-difluoro-2-[[3-methyl-2-(2-methylpropyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=CC(=C(C=C3C2)F)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1CC(C)C)C(=O)NC2(CC3=CC(=C(C=C3C2)F)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H23F2NO3/c1-12(2)7-17-13(3)5-4-6-16(17)20(26)25-22(21(27)28)10-14-8-18(23)19(24)9-15(14)11-22/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,25,26)(H,27,28)

>  <InChI Key>
SSNLQKKZPHUPJN-UHFFFAOYSA-N

