
 CHEMBL3298700

 43 45  0  0  0  0  0  0  0  0999 V2000
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   -3.9572   -2.6534    1.5415 C   0  0  0  0  0
   -2.5554   -3.2638    1.5598 C   0  0  0  0  0
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   -2.8428   -5.0724   -1.9074 C   0  0  0  0  0
   -3.6726   -5.3068   -2.7684 O   0  0  0  0  0
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   -0.8560   -4.4345    0.1654 N   0  0  0  0  0
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    9.3301   -6.7898   -1.4965 H   0  0  0  0  0
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    5.4915   -8.3474    0.8910 H   0  0  0  0  0
    3.3855   -7.3311    1.6398 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 26  1  0  0  0
  2  3  1  0  0  0
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  4  5  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3298700

>  <PubChem CID>
90645403

>  <Formula>
C20H19NO3

>  <Molecular Weight>
321.376000

>  <IUPAC Name>
2-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]cyclohexene-1-carboxylic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(=C(C1)C(=O)O)NC(=O)C=CC2=CC3=CC=CC=C3C=C2

>  <Isomeric SMILES>
C1CCC(=C(C1)C(=O)O)NC(=O)/C=C/C2=CC3=CC=CC=C3C=C2

>  <InChI Std. ID>
InChI=1S/C20H19NO3/c22-19(21-18-8-4-3-7-17(18)20(23)24)12-10-14-9-11-15-5-1-2-6-16(15)13-14/h1-2,5-6,9-13H,3-4,7-8H2,(H,21,22)(H,23,24)/b12-10+

>  <InChI Key>
BJWHTOJATAKVQX-ZRDIBKRKSA-N

