Molecule FYI-1007475

A

Molecule Summary:

ID: FYI-1007475
Names:
InChIKey: LANZEYAOYJGKIQ-UHFFFAOYSA-N
SMILES: COc2ccc(OCC(=O)NNC(=O)C(=O)Nc1ccccc1)cc2

Received at FYIcenter.com on: 2024-02-23

Molecule ID: FYI-1007475 Edit

Molecule Structure InChIKey: LANZEYAOYJGKIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(OCC(=O)NNC(=O)C(=O)Nc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007475
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007475-3D
FYIcenter.com

 42 43  0     0  0  0  0  0  0999 V2000
    2.9198    0.5910   -1.0892 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0233    0.5331    1.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409    0.8048   -0.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1048   -2.3342    0.3280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4657   -1.4245    1.5242 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9005    0.0257    0.3002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0347   -1.5016   -0.9040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -1.4235   -0.8198 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1892    0.5761   -0.5611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1863   -0.6141   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7264    1.7369   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9400   -0.5992   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7655    0.5468    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2341    0.4898    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147    1.7222    0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281   -0.6139   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025   -0.3330   -0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4944    1.8596    0.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2895   -0.4218    0.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8099    2.3177    0.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6051    0.0364    0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807   -1.2867    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5669   -1.5154   -1.0313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4280    2.6295    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7586   -1.5583   -0.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6812    2.5807    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1606   -1.4953    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0125    3.3842    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4278   -0.6724    0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713   -2.4308   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9171   -1.0141   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395   -1.4806    1.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3 17  2  0  0  0  0
  4 22  2  0  0  0  0
  5 24  2  0  0  0  0
  6 14  1  0  0  0  0
  6 22  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 37  1  0  0  0  0
  8 24  1  0  0  0  0
  8 39  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 15  1  0  0  0  0
 11 28  1  0  0  0  0
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 12 29  1  0  0  0  0
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 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 30  1  0  0  0  0
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 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
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 22 24  1  0  0  0  0
 23 38  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1732👍, 0💬