
 CHEMBL3298701

 44 46  0  0  0  0  0  0  0  0999 V2000
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    0.4762   -0.5932   -0.5770 C   0  0  0  0  0
    1.2986   -1.2931   -0.0113 O   0  0  0  0  0
    0.6588    0.7330   -0.6878 O   0  0  0  0  0
   -0.2330   -3.3356   -0.7105 N   0  0  0  0  0
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    3.5302   -6.2010    0.0331 H   0  0  0  0  0
    5.9352   -9.6935    2.2102 H   0  0  0  0  0
    2.9595  -12.6334    3.1804 H   0  0  0  0  0
    1.2145  -11.2235    2.1863 H   0  0  0  0  0
    5.1675  -12.8040    3.6503 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 26  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3298701

>  <PubChem CID>
90645401

>  <Formula>
C20H19NO4

>  <Molecular Weight>
337.375000

>  <IUPAC Name>
2-[[(E)-3-(6-hydroxynaphthalen-2-yl)prop-2-enoyl]amino]cyclohexene-1-carboxylic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(=C(C1)C(=O)O)NC(=O)C=CC2=CC3=C(C=C2)C=C(C=C3)O

>  <Isomeric SMILES>
C1CCC(=C(C1)C(=O)O)NC(=O)/C=C/C2=CC3=C(C=C2)C=C(C=C3)O

>  <InChI Std. ID>
InChI=1S/C20H19NO4/c22-16-9-8-14-11-13(5-7-15(14)12-16)6-10-19(23)21-18-4-2-1-3-17(18)20(24)25/h5-12,22H,1-4H2,(H,21,23)(H,24,25)/b10-6+

>  <InChI Key>
AVNBEASMPPWLBU-UXBLZVDNSA-N

