
 SCHEMBL3311869

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    4.1908   -3.2180    0.1651 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3311869

>  <PubChem CID>
25160540

>  <Formula>
C21H22FNO4

>  <Molecular Weight>
371.408000

>  <IUPAC Name>
5-fluoro-2-[(3-methyl-2-propan-2-yloxybenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <Isomeric SMILES>
CC1=CC=CC(=C1OC(C)C)C(=O)NC2(CC3=C(C2)C=C(C=C3)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H22FNO4/c1-12(2)27-18-13(3)5-4-6-17(18)19(24)23-21(20(25)26)10-14-7-8-16(22)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,23,24)(H,25,26)

>  <InChI Key>
JJAGIHLMZAAAQP-UHFFFAOYSA-N

