
 SCHEMBL707708

 73 76  0  0  0  0  0  0  0  0999 V2000
    9.1411    5.4393    1.0433 C   0  0  0  0  0
    8.4880    4.1046    0.7744 C   0  0  0  0  0
    9.0448    3.1878   -0.1414 C   0  0  0  0  0
    8.3938    1.9761   -0.3915 C   0  0  0  0  0
    7.2432    1.6355    0.3268 C   0  0  0  0  0
    6.6875    2.5424    1.2347 C   0  0  0  0  0
    7.3010    3.7739    1.4621 C   0  0  0  0  0
    6.8152    4.7358    2.3108 O   0  0  0  0  0
    5.7369    4.3713    3.1638 C   0  0  0  0  0
    6.4803    0.3948    0.0479 C   0  0  0  0  0
    5.2754    0.5315   -0.1702 O   0  0  0  0  0
    7.1021   -0.8565    0.0289 N   0  0  0  0  0
    6.2767   -1.9963   -0.3811 C   0  0  0  0  0
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   10.0260   -6.6568    6.7686 C   0  0  0  0  0
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   10.5831   -6.5273    4.4241 C   0  0  0  0  0
   10.3214   -5.1549    4.4404 C   0  0  0  0  0
   10.7529   -8.9608    5.5658 Cl  0  0  0  0  0
    9.3403   -4.7181    8.0967 C   0  0  0  0  0
    9.6679   -5.1637    9.1803 O   0  0  0  0  0
    8.4715   -3.7001    7.9949 O   0  0  0  0  0
   10.2114    3.5760   -0.7481 O   0  0  0  0  0
   10.8784    2.6343   -1.5780 C   0  0  0  0  0
    8.4180    6.2499    0.9011 H   0  0  0  0  0
    9.9799    5.6478    0.3734 H   0  0  0  0  0
    9.5190    5.4684    2.0702 H   0  0  0  0  0
    8.7486    1.2979   -1.1588 H   0  0  0  0  0
    5.7557    2.2708    1.7211 H   0  0  0  0  0
    6.0223    3.5426    3.8202 H   0  0  0  0  0
    4.8359    4.1323    2.5903 H   0  0  0  0  0
    5.5055    5.2343    3.7954 H   0  0  0  0  0
    5.3200   -1.9370    0.1523 H   0  0  0  0  0
    6.7624   -2.9289   -0.0733 H   0  0  0  0  0
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    5.5763   -1.1082   -2.2358 H   0  0  0  0  0
    4.1753   -3.1458   -1.6847 H   0  0  0  0  0
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    6.5138   -4.5841   -4.1663 H   0  0  0  0  0
    6.0165   -4.7110   -6.5821 H   0  0  0  0  0
    4.0567   -3.5128   -7.5182 H   0  0  0  0  0
    2.5942   -2.1739   -6.0270 H   0  0  0  0  0
    3.0800   -2.0323   -3.6104 H   0  0  0  0  0
    9.1064   -0.2937    0.2996 H   0  0  0  0  0
    8.8584   -1.9685   -0.1087 H   0  0  0  0  0
    6.8030   -2.7230    2.1483 H   0  0  0  0  0
    7.3522   -3.6051    4.3622 H   0  0  0  0  0
   10.9808   -1.3028    4.4190 H   0  0  0  0  0
   10.4572   -0.4056    2.1858 H   0  0  0  0  0
    9.9261   -7.2458    7.6791 H   0  0  0  0  0
   10.9131   -7.0015    3.5024 H   0  0  0  0  0
   10.4788   -4.5939    3.5225 H   0  0  0  0  0
    8.2793   -3.4484    8.9219 H   0  0  0  0  0
   11.8310    3.0768   -1.8851 H   0  0  0  0  0
   10.2964    2.4327   -2.4824 H   0  0  0  0  0
   11.1024    1.7098   -1.0353 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL707708

>  <PubChem CID>
66774777

>  <Formula>
C33H32ClNO6

>  <Molecular Weight>
574.070000

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

>  <XlogP>
7.2

>  <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)OC4=C(C=C(C=C4)Cl)C(=O)O)OC

>  <Isomeric SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)C(=O)O)OC

>  <InChI Std. ID>
InChI=1S/C33H32ClNO6/c1-22-30(39-2)18-25(19-31(22)40-3)32(36)35(17-7-10-23-8-5-4-6-9-23)21-24-11-14-27(15-12-24)41-29-16-13-26(34)20-28(29)33(37)38/h4-6,8-9,11-16,18-20H,7,10,17,21H2,1-3H3,(H,37,38)

>  <InChI Key>
DAOODVJVNUBOQM-UHFFFAOYSA-N

