
 CID 56623795

 57 59  0  0  0  0  0  0  0  0999 V2000
   -2.3649    0.1100   -3.4342 C   0  0  0  0  0
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   -0.1227    1.9822   -0.1779 C   0  0  0  0  0
    0.7173    2.9602   -0.0607 N   0  0  0  0  0
    1.0907    3.2240    1.2278 N   0  0  0  0  0
    1.9470    4.2609    1.5580 C   0  0  0  0  0
    2.2523    4.4447    2.7298 O   0  0  0  0  0
    2.3482    4.9802    0.4605 N   0  0  0  0  0
    3.1934    6.0980    0.4017 C   0  0  0  0  0
    3.8006    6.6690    1.5219 C   0  0  0  0  0
    4.6312    7.7860    1.3861 C   0  0  0  0  0
    4.8604    8.3410    0.1295 C   0  0  0  0  0
    4.2593    7.7789   -0.9938 C   0  0  0  0  0
    3.4301    6.6618   -0.8577 C   0  0  0  0  0
    0.5138   -0.7270   -0.9565 C   0  0  0  0  0
    0.8875   -2.1265   -1.3804 C   0  0  0  0  0
    0.8937   -2.6127   -2.6319 C   0  0  0  0  0
    1.2098   -4.0386   -2.9806 C   0  0  0  0  0
   -0.0790   -4.7840   -3.3241 C   0  0  0  0  0
    0.1948   -6.2158   -3.7717 C   0  0  0  0  0
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   -2.1915   -6.7130   -3.5998 O   0  0  0  0  0
   -0.9150   -7.9478   -4.9455 O   0  0  0  0  0
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    0.1893    0.1124   -2.9127 H   0  0  0  0  0
   -0.1823    2.2477   -2.2813 H   0  0  0  0  0
   -0.5039    1.4266    0.6974 H   0  0  0  0  0
    0.7530    2.6659    2.0039 H   0  0  0  0  0
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  1  2  1  0  0  0
  1  5  1  0  0  0
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  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  7  1  0  0  0
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  4  5  1  0  0  0
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 28 57  1  0  0  0
M  END

>  <Chemical Name>
CID 56623795

>  <PubChem CID>
56623795

>  <Formula>
C22H29N3O3

>  <Molecular Weight>
383.492000

>  <IUPAC Name>
7-[3-[(phenylcarbamoylhydrazinylidene)methyl]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2CC1C(C2C=NNC(=O)NC3=CC=CC=C3)CC=CCCCC(=O)O

>  <Isomeric SMILES>
C1CC2CC1C(C2C=NNC(=O)NC3=CC=CC=C3)CC=CCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C22H29N3O3/c26-21(27)11-7-2-1-6-10-19-16-12-13-17(14-16)20(19)15-23-25-22(28)24-18-8-4-3-5-9-18/h1,3-6,8-9,15-17,19-20H,2,7,10-14H2,(H,26,27)(H2,24,25,28)

>  <InChI Key>
QAGIQKFINYERQA-UHFFFAOYSA-N

