
 SCHEMBL3304406

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    3.3463   -2.9609   -0.1698 C   0  0  0  0  0
    4.1713   -3.8536   -0.0382 O   0  0  0  0  0
    3.5438   -1.8306   -0.9363 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3304406

>  <PubChem CID>
68588620

>  <Formula>
C22H20F3NO3

>  <Molecular Weight>
403.401000

>  <IUPAC Name>
2-[[2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(=CC1=C(C=CC=C1C(F)(F)F)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)C

>  <Isomeric SMILES>
CC(=CC1=C(C=CC=C1C(F)(F)F)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O)C

>  <InChI Std. ID>
InChI=1S/C22H20F3NO3/c1-13(2)10-17-16(8-5-9-18(17)22(23,24)25)19(27)26-21(20(28)29)11-14-6-3-4-7-15(14)12-21/h3-10H,11-12H2,1-2H3,(H,26,27)(H,28,29)

>  <InChI Key>
DYXHQOILPANHKB-UHFFFAOYSA-N

