
 SCHEMBL707709

 76 79  0  0  0  0  0  0  0  0999 V2000
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    1.8121    2.4721   -2.7078 O   0  0  0  0  0
    0.9613    3.5446   -4.4827 O   0  0  0  0  0
    3.5467    4.3514   -5.9047 O   0  0  0  0  0
    3.6108    5.0957   -4.7502 C   0  0  0  0  0
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    6.4233    0.1923   -7.3258 H   0  0  0  0  0
    4.9111    2.9141   -7.4616 H   0  0  0  0  0
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    3.9611   -0.9005   -5.6901 H   0  0  0  0  0
    0.3950    3.8423   -3.7430 H   0  0  0  0  0
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    4.9943    5.1890   -1.6596 H   0  0  0  0  0
    5.2422    4.0301   -3.8125 H   0  0  0  0  0
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    7.5053    8.1260   -0.3504 H   0  0  0  0  0
    7.3536    9.8694   -0.3928 H   0  0  0  0  0
    8.2000   11.1588   -2.3417 H   0  0  0  0  0
    9.7775   11.1952   -4.2429 H   0  0  0  0  0
   10.6751    9.0740   -5.1637 H   0  0  0  0  0
    9.9846    6.9049   -4.1779 H   0  0  0  0  0
    8.4106    6.8508   -2.2768 H   0  0  0  0  0
    0.5188    7.9651    0.1281 H   0  0  0  0  0
    1.6714   11.1063   -2.5561 H   0  0  0  0  0
   -0.4259   13.0222   -4.7878 H   0  0  0  0  0
    0.7782   11.7290   -4.7097 H   0  0  0  0  0
    0.6468   12.9550   -3.3867 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL707709

>  <PubChem CID>
66774778

>  <Formula>
C34H35NO6

>  <Molecular Weight>
553.655000

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

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C(=O)O)OC2=CC=C(C=C2)CN(CCCC3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)C)OC

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C(=O)O)OC2=CC=C(C=C2)CN(CCCC3=CC=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)C)OC

>  <InChI Std. ID>
InChI=1S/C34H35NO6/c1-23-12-17-29(34(37)38)32(19-23)41-28-15-13-26(14-16-28)22-35(18-8-11-25-9-6-5-7-10-25)33(36)27-20-30(39-3)24(2)31(21-27)40-4/h5-7,9-10,12-17,19-21H,8,11,18,22H2,1-4H3,(H,37,38)

>  <InChI Key>
AAUXOLHCUCFSSN-UHFFFAOYSA-N

