
 SCHEMBL706511

 65 68  0  0  0  0  0  0  0  0999 V2000
    5.8616    7.1884   -0.0119 C   0  0  0  0  0
    6.9810    7.2180   -0.8908 O   0  0  0  0  0
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    5.3272    2.4533   -1.7784 O   0  0  0  0  0
    7.1432    1.2033   -1.1061 N   0  0  0  0  0
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    9.0046   -0.2584    1.2885 C   0  0  0  0  0
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   11.7244   -0.2726    6.3568 C   0  0  0  0  0
   11.2375    0.5478    7.3656 C   0  0  0  0  0
   10.2623    1.4970    7.0701 C   0  0  0  0  0
    9.7510    1.6198    5.7635 C   0  0  0  0  0
    8.7025    2.6485    5.5921 C   0  0  0  0  0
    8.7125    3.7586    6.0954 O   0  0  0  0  0
    7.6478    2.1990    4.8949 O   0  0  0  0  0
    5.6356    8.2190    0.2782 H   0  0  0  0  0
    6.0985    6.6280    0.8985 H   0  0  0  0  0
    4.9722    6.7825   -0.5060 H   0  0  0  0  0
    8.9828    7.0508   -2.4241 H   0  0  0  0  0
    9.8568    5.0209   -3.5396 H   0  0  0  0  0
    8.7305    2.8389   -3.2087 H   0  0  0  0  0
    5.9155    4.6852   -0.5438 H   0  0  0  0  0
    5.2848    0.4412   -0.5093 H   0  0  0  0  0
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    5.6922   -0.0702   -2.9759 H   0  0  0  0  0
    4.0106   -1.3727   -1.6314 H   0  0  0  0  0
    5.2653   -2.4835   -1.1193 H   0  0  0  0  0
    6.2713   -4.1011   -2.7148 H   0  0  0  0  0
    5.9412   -5.4082   -4.7840 H   0  0  0  0  0
    4.2400   -4.7051   -6.4467 H   0  0  0  0  0
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    9.3233    3.0803    0.7375 H   0  0  0  0  0
   11.6562   -0.7835    4.2816 H   0  0  0  0  0
   12.4900   -1.0131    6.5762 H   0  0  0  0  0
   11.6164    0.4508    8.3800 H   0  0  0  0  0
    9.8864    2.1401    7.8642 H   0  0  0  0  0
    7.0307    2.9578    4.8652 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL706511

>  <PubChem CID>
66774300

>  <Formula>
C31H29NO4

>  <Molecular Weight>
479.576000

>  <IUPAC Name>
2-[4-[[(3-methoxybenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]benzoic acid

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)N(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H29NO4/c1-36-27-13-7-12-26(21-27)30(33)32(20-8-11-23-9-3-2-4-10-23)22-24-16-18-25(19-17-24)28-14-5-6-15-29(28)31(34)35/h2-7,9-10,12-19,21H,8,11,20,22H2,1H3,(H,34,35)

>  <InChI Key>
GSYGAEACTSMQPG-UHFFFAOYSA-N

