
 SCHEMBL10240963

 53 55  0  0  0  0  0  0  0  0999 V2000
    3.3030   -1.1035    3.1469 C   0  0  0  0  0
    3.4371   -0.2361    1.9259 C   0  0  0  0  0
    4.1581    0.9671    2.0922 C   0  0  0  0  0
    4.3544    1.8570    1.0388 C   0  0  0  0  0
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    2.1531   -1.8307    0.2554 C   0  0  0  0  0
    2.5629   -3.1408    0.9649 C   0  0  0  0  0
    2.1957   -4.3692    0.1232 C   0  0  0  0  0
    1.1809   -5.1473    0.3761 N   0  0  0  0  0
    0.4832   -4.7572    1.5203 O   0  0  0  0  0
    3.0189   -4.6779   -1.0936 C   0  0  0  0  0
    2.4131   -5.3622   -2.1515 C   0  0  0  0  0
    3.1587   -5.6337   -3.2917 C   0  0  0  0  0
    4.4571   -5.2743   -3.4115 N   0  0  0  0  0
    5.0245   -4.6273   -2.3724 C   0  0  0  0  0
    4.3561   -4.3048   -1.2047 C   0  0  0  0  0
    2.5389   -6.3693   -4.4416 C   0  0  0  0  0
    0.6392   -1.6151    0.2153 C   0  0  0  0  0
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   -4.1155    0.2796    0.0482 C   0  0  0  0  0
   -4.3390    0.9422    1.0478 O   0  0  0  0  0
   -4.2480    0.8265   -1.1777 O   0  0  0  0  0
    3.5653   -0.5529    4.0579 H   0  0  0  0  0
    3.9775   -1.9617    3.0843 H   0  0  0  0  0
    2.2755   -1.4380    3.2889 H   0  0  0  0  0
    4.5738    1.2245    3.0653 H   0  0  0  0  0
    4.9078    2.7781    1.1984 H   0  0  0  0  0
    3.9689    2.2538   -1.0369 H   0  0  0  0  0
    2.7257    0.1764   -1.3913 H   0  0  0  0  0
    2.4534   -1.9971   -0.7903 H   0  0  0  0  0
    2.1148   -3.2247    1.9578 H   0  0  0  0  0
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    6.0713   -4.3683   -2.5077 H   0  0  0  0  0
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    1.5943   -5.8984   -4.7319 H   0  0  0  0  0
    2.3515   -7.4108   -4.1636 H   0  0  0  0  0
    3.2022   -6.3586   -5.3125 H   0  0  0  0  0
    0.5380   -1.6178   -1.9518 H   0  0  0  0  0
   -1.8905   -1.3370   -2.0646 H   0  0  0  0  0
   -2.0838   -1.2629    2.2410 H   0  0  0  0  0
    0.3356   -1.5414    2.3590 H   0  0  0  0  0
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   -4.0661   -1.6347   -0.8929 H   0  0  0  0  0
   -4.4972    1.7560   -0.9918 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8 20  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL10240963

>  <PubChem CID>
136166866

>  <Formula>
C24H24N2O3

>  <Molecular Weight>
388.467000

>  <IUPAC Name>
2-[4-[(3E)-3-hydroxyimino-1-(2-methylphenyl)-3-(2-methylpyridin-4-yl)propyl]phenyl]acetic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC=C1C(CC(=NO)C2=CC(=NC=C2)C)C3=CC=C(C=C3)CC(=O)O

>  <Isomeric SMILES>
CC1=CC=CC=C1C(C/C(=N\O)/C2=CC(=NC=C2)C)C3=CC=C(C=C3)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H24N2O3/c1-16-5-3-4-6-21(16)22(19-9-7-18(8-10-19)14-24(27)28)15-23(26-29)20-11-12-25-17(2)13-20/h3-13,22,29H,14-15H2,1-2H3,(H,27,28)/b26-23+

>  <InChI Key>
CFRHKPBZEFZZII-WNAAXNPUSA-N

