
 SCHEMBL707330

 66 68  0  0  0  0  0  0  0  0999 V2000
    9.7478    5.1422    1.1779 C   0  0  0  0  0
    8.9787    3.8829    0.8636 C   0  0  0  0  0
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    7.1969   -0.9121    0.1309 N   0  0  0  0  0
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    7.2325   -3.2589    8.1291 O   0  0  0  0  0
   10.6227    3.2606   -0.7294 O   0  0  0  0  0
   11.4160    2.1413   -1.1129 C   0  0  0  0  0
    9.1485    6.0209    0.9167 H   0  0  0  0  0
   10.6907    5.2150    0.6288 H   0  0  0  0  0
    9.9935    5.1761    2.2447 H   0  0  0  0  0
    8.9783    1.1638   -1.2108 H   0  0  0  0  0
    6.1042    2.2476    1.7551 H   0  0  0  0  0
    6.0857    3.5318    3.6948 H   0  0  0  0  0
    5.3016    4.3992    2.3158 H   0  0  0  0  0
    5.9312    5.2923    3.7049 H   0  0  0  0  0
    5.2827   -1.7535    0.2192 H   0  0  0  0  0
    6.5957   -2.9152    0.3554 H   0  0  0  0  0
    7.1661   -2.5983   -2.0499 H   0  0  0  0  0
    5.9639   -1.3307   -2.2028 H   0  0  0  0  0
    4.1507   -3.0038   -1.5826 H   0  0  0  0  0
    5.3649   -4.2663   -1.5217 H   0  0  0  0  0
    6.3992   -5.1326   -3.6021 H   0  0  0  0  0
    6.1813   -5.4118   -6.0466 H   0  0  0  0  0
    4.6482   -3.9518   -7.3392 H   0  0  0  0  0
    3.3290   -2.2020   -6.1760 H   0  0  0  0  0
    3.5376   -1.9068   -3.7335 H   0  0  0  0  0
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    9.3462   -1.9478    7.9732 H   0  0  0  0  0
    6.2666   -3.4112    8.1950 H   0  0  0  0  0
   12.4350    2.4989   -1.2898 H   0  0  0  0  0
   11.0456    1.7091   -2.0473 H   0  0  0  0  0
   11.4622    1.3835   -0.3223 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  7  1  0  0  0
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  4  5  2  0  0  0
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  5  6  1  0  0  0
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 35 66  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL707330

>  <PubChem CID>
66774612

>  <Formula>
C28H31NO6

>  <Molecular Weight>
477.557000

>  <IUPAC Name>
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)OCC(=O)O)OC

>  <Isomeric SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)OCC(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C28H31NO6/c1-20-25(33-2)16-23(17-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)18-22-11-13-24(14-12-22)35-19-27(30)31/h4-6,8-9,11-14,16-17H,7,10,15,18-19H2,1-3H3,(H,30,31)

>  <InChI Key>
PLXXUMCDNICFNH-UHFFFAOYSA-N

