Molecule FYI-1005732

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A

Molecule Summary:

ID: FYI-1005732
Names:
InChIKey: FSTVJNLNEVDORU-XBXARRHUSA-N
SMILES: CC=C(C)C(=O)OC1CC2CC(CC1N2C)O

Received at FYIcenter.com on: 2023-11-11

Molecule ID: FYI-1005732 Edit

Molecule Structure InChIKey: FSTVJNLNEVDORU-XBXARRHUSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CC(CC1N2C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005732
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
    7.3636   -1.2287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.5023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636   -0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9869    2.0947    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4647    0.1462    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7235    1.1121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8636   -0.3627    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1225    0.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2437   -0.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903    0.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -0.1603    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4869    2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3636   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8636   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3636   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8636   -2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3636   -2.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5475   -0.4683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0929    1.6101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4652   -0.8376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164    0.4255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3174    1.1918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8378   -1.1882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603   -1.1786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6852    1.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0760    0.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9612    0.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8267   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0536   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9006   -3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1736   -1.5578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8267   -3.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736   -3.4977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9006   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005732-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
   -0.9470   -0.2091   -0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    1.6036   -0.5533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8345    1.8080    0.4551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527   -1.4831   -0.1215 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.3573   -0.4303   -0.9709 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1499   -0.7972    1.1676 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3693    0.3054   -0.0526 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8646    0.0157    1.3676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5335    0.4828   -1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    0.1006    0.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2339    1.1084   -0.1574 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1190   -2.6756   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9660    0.6524    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2793   -0.0300   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2757   -1.4442   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3731    0.7109    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8022    0.2816    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8844   -0.8406   -1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3289   -1.4912    1.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    1.3803   -0.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1263   -0.5655    1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    0.9413    1.9226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2610   -0.0889   -1.9658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1812    1.2832   -2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5990    0.6445    1.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2752   -0.5255    0.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    1.9689    0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6228   -3.4255    0.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319   -2.4913    0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -3.1299   -0.9959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9306    1.9847    0.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083   -1.5185   -1.5638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8148   -2.1068    0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2726   -1.8358   -0.8407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2608    1.7395    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3005    0.8470   -0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3159    0.4975    0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9345   -0.7821   -0.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 11  1  0  0  0  0
  2 31  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 11  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 394👍, 0💬