
 SCHEMBL3307696

 48 50  0  0  0  0  0  0  0  0999 V2000
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    4.8303   -0.7308   -0.7516 C   0  0  0  0  0
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    4.7533   -3.4264    0.0028 C   0  0  0  0  0
    5.5288   -3.0443   -1.1050 C   0  0  0  0  0
    6.2898   -4.1210   -1.8366 C   0  0  0  0  0
    4.8228    0.7339   -1.0790 C   0  0  0  0  0
    5.8297    1.3126   -1.4607 O   0  0  0  0  0
    3.6135    1.3675   -0.9099 N   0  0  0  0  0
    3.3584    2.8056   -1.1388 C   0  0  0  0  0
    4.2796    3.7456   -0.3177 C   0  0  0  0  0
    4.3960    4.9390   -1.2219 C   0  0  0  0  0
    4.8794    6.1979   -0.9038 C   0  0  0  0  0
    4.8903    7.1748   -1.9003 C   0  0  0  0  0
    4.4329    6.8823   -3.1951 C   0  0  0  0  0
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    3.9506    4.6447   -2.5151 C   0  0  0  0  0
    3.5079    3.2155   -2.6254 C   0  0  0  0  0
    1.8871    3.0646   -0.7176 C   0  0  0  0  0
    1.3015    4.1332   -0.6441 O   0  0  0  0  0
    1.1953    1.9263   -0.4504 O   0  0  0  0  0
    9.7407   -0.3338   -3.1732 H   0  0  0  0  0
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    3.8395    4.0207    0.6458 H   0  0  0  0  0
    5.2365    6.4254    0.0952 H   0  0  0  0  0
    5.2566    8.1740   -1.6734 H   0  0  0  0  0
    4.4453    7.6574   -3.9573 H   0  0  0  0  0
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    4.2776    2.6375   -3.1469 H   0  0  0  0  0
    2.5642    3.1339   -3.1758 H   0  0  0  0  0
    0.2952    2.2620   -0.2455 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL3307696

>  <PubChem CID>
59314294

>  <Formula>
C21H23NO3

>  <Molecular Weight>
337.419000

>  <IUPAC Name>
2-[(3-methyl-2-propylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C21H23NO3/c1-3-7-17-14(2)8-6-11-18(17)19(23)22-21(20(24)25)12-15-9-4-5-10-16(15)13-21/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,22,23)(H,24,25)

>  <InChI Key>
PFESIXUWYFDMJH-UHFFFAOYSA-N

