Molecule FYI-1001258

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A

Molecule Summary:

ID: FYI-1001258
SMILES: CC(=O)OC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Received at FYIcenter.com on: 2022-04-17

Molecule ID: FYI-1001258 Edit

Molecule Structure SMILES String: CC(=O)OC(C(=O)NC1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001258
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001258-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    6.5921   -1.2903    3.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5521   -0.2486    2.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4442    0.5579    1.9297 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3553   -0.3007    1.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1434    0.6869    0.4777 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7188    0.1544   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9032    0.3000   -1.1714 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456   -0.5608   -1.6580 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484   -1.2108   -2.9025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0643   -1.3180   -3.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0556   -2.3795   -3.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6870   -3.6950   -3.2342 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885   -3.6221   -2.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -2.5921   -2.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7011   -4.7066   -2.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5688   -4.9408   -3.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -5.3691   -5.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7881   -5.5448   -5.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5288   -5.3068   -5.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8047   -4.9028   -4.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370   -4.7223   -3.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6473    0.9933    0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026    2.2199   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8364    2.4923   -0.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986    1.5418    0.1901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3213    0.3181    0.6997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850    0.0458    0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6258   -1.4447    3.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2101   -2.2415    2.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9937   -0.9555    4.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6589    1.6237    0.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8959   -0.6965   -1.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0142   -0.5730   -3.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4370   -1.5730   -4.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5556   -0.3498   -3.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2899   -2.4313   -4.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5509   -2.0591   -2.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2809   -4.6002   -2.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045   -3.3874   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3556   -2.9318   -3.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146   -2.5432   -1.8647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2892   -4.4250   -1.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2027   -5.6731   -2.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573   -5.5458   -5.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -5.8597   -7.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383   -5.4345   -6.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323   -4.7216   -3.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   -4.3987   -2.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9173    2.9736   -0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023    3.4473   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.7571    0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5910   -0.4243    1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9908   -0.9203    1.2120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
M  END
$$$$

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2022-05-01, 742👍, 0💬