Molecule Editor

Molecule ID: FYI-1005861 Edit

Molecule Structure InChIKey: CVBDINVMXXPIDE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)C1CCCCN1Cc3coc(c2ccco2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005861
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    4.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1145    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2818    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    4.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 22 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005861-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    4.3960    0.9246    0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8156    1.1995   -1.1722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3236    1.3603   -1.1492 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6611   -0.4306    1.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -0.8006   -0.0099 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8885    0.0822    0.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865   -0.7542    0.2356 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5346   -1.8505   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717   -3.2326   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7836   -2.1280    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678   -3.2440   -0.4677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    0.2186    0.7634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3091    0.5645   -0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    0.5602    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9747    1.3368   -0.9614 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985    2.1722    0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7997    0.5864   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1863    0.3420    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1829    2.4270    1.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2211    0.8155   -0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4079    0.3010   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2586   -3.1223   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0554   -4.2144   -0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643    1.1646    0.8227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4675   -0.0935    1.8064 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3332    2.1293   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646    2.9779    0.2448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8664    2.4545    2.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9173    1.6197    0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    3.3751    0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4235    0.4580   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5447   -1.0308    1.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
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M  END
$$$$