Molecule FYI-1000446

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Molecule Summary:

ID: FYI-1000446
SMILES: CC(C)C(C(O)=O)NC(=O)OCC1c2c(cccc2)c3c1cccc3

Received at FYIcenter.com on: 2021-07-02

Molecule ID: FYI-1000446 Edit

Molecule Structure SMILES String: CC(C)C(C(O)=O)NC(=O)OCC1c2c(cccc2)c3c1cccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1000446
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    6.4972    0.5828    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522    0.2716    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    1.2586    2.1147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0342    0.3996   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789   -0.5726   -1.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4051   -0.4896   -1.9152 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4613   -1.4267   -1.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    0.1016    0.5671 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6096    0.6109    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    1.3172   -0.9355 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
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  4 33  1  0  0  0  0
  6 34  1  0  0  0  0
  8 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
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 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000446-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
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    3.4941   -0.2148   -1.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7485    1.0704   -2.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4459   -0.3286   -0.6360 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2684   -1.6029    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1470   -1.6386    1.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -2.4375    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657   -0.1100   -0.9672 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5472   -0.9500   -1.8191 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4244   -2.2500   -1.4789 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2374   -3.2032   -2.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7599   -3.0149   -2.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629   -3.2048   -0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2236   -4.2391   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8411   -4.5724    0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4956   -3.8598    1.7849 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5381   -4.3963   -4.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2034   -6.1226   -3.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7626    1.1097   -3.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3718   -5.6927   -5.6453 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 29  1  0  0  0  0
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  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
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  4  8  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 12 37  1  0  0  0  0
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 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
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 25 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-16, 1908👍, 0💬