
 CHEMBL3973793

 63 65  0  0  0  0  0  0  0  0999 V2000
    9.4587    5.3308    1.7371 C   0  0  0  0  0
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    4.8761   -3.3496    6.4297 O   0  0  0  0  0
   10.8174    3.4747    0.1256 O   0  0  0  0  0
   11.6774    2.4107   -0.2668 C   0  0  0  0  0
    8.8328    6.1874    1.4635 H   0  0  0  0  0
   10.4431    5.5075    1.2946 H   0  0  0  0  0
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    6.8783   -2.7895   -0.2170 H   0  0  0  0  0
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    8.7327   -5.0191   -4.0328 H   0  0  0  0  0
    9.7004   -5.1226   -6.2965 H   0  0  0  0  0
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   11.4564    2.0910   -1.2898 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 35  1  0  0  0
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  1 37  1  0  0  0
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  3 33  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
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  9 41  1  0  0  0
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 34 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3973793

>  <PubChem CID>
134153933

>  <Formula>
C28H29NO5

>  <Molecular Weight>
459.542000

>  <IUPAC Name>
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-[(E)-3-phenylprop-2-enyl]amino]methyl]phenyl]acetic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=C(C=C1OC)C(=O)N(CC=CC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)OC

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

>  <InChI Std. ID>
InChI=1S/C28H29NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-14,17-18H,15-16,19H2,1-3H3,(H,30,31)/b10-7+

>  <InChI Key>
CGUDRHQQPYHOID-JXMROGBWSA-N

