
 SCHEMBL3313970

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.6700    3.0346    2.6471 C   0  0  0  0  0
    4.2590    1.8996    1.8562 C   0  0  0  0  0
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    1.2694    1.3077    1.8206 C   0  0  0  0  0
    1.1088    1.7384    0.3648 C   0  0  0  0  0
   -0.0110    0.6170    2.2945 C   0  0  0  0  0
    3.8495   -1.7755    0.7387 C   0  0  0  0  0
    4.6084   -2.6253    0.2721 O   0  0  0  0  0
    2.5540   -2.0938    1.0702 N   0  0  0  0  0
    2.0534   -3.4818    0.9726 C   0  0  0  0  0
    2.9027   -4.4514    1.8442 C   0  0  0  0  0
    1.8780   -5.3410    2.4795 C   0  0  0  0  0
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    1.6485   -3.1293   -1.4386 O   0  0  0  0  0
    2.3200   -5.1449   -0.8011 O   0  0  0  0  0
    4.4469    3.7290    2.9880 H   0  0  0  0  0
    3.1801    2.6647    3.5525 H   0  0  0  0  0
    2.9732    3.6107    2.0312 H   0  0  0  0  0
    6.0703    3.0570    1.5318 H   0  0  0  0  0
    7.2727    1.2681    0.3567 H   0  0  0  0  0
    6.2193   -0.9233    0.0335 H   0  0  0  0  0
    1.3900    2.1754    2.4688 H   0  0  0  0  0
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    3.6279   -5.0325    1.2664 H   0  0  0  0  0
    0.3391   -2.7510    2.1659 H   0  0  0  0  0
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    3.1190   -6.8536    3.3836 H   0  0  0  0  0
    2.2730   -5.1912   -1.7785 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3313970

>  <PubChem CID>
25160543

>  <Formula>
C22H22F3NO4

>  <Molecular Weight>
421.416000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C22H22F3NO4/c1-12(2)30-18-13(3)5-4-6-17(18)19(27)26-21(20(28)29)10-14-7-8-16(22(23,24)25)9-15(14)11-21/h4-9,12H,10-11H2,1-3H3,(H,26,27)(H,28,29)

>  <InChI Key>
PMGMYYQMBLQSCM-UHFFFAOYSA-N

