Molecule FYI-1000175

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Molecule Summary:

ID: FYI-1000175
SMILES: C#Cc1ccc(C(=O)CCCC(C)(C)N)cc1

Received at FYIcenter.com on: 2020-10-13

Molecule ID: FYI-1000175 Edit

Molecule Structure SMILES String: C#Cc1ccc(C(=O)CCCC(C)(C)N)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000175
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  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  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000175-3D
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
    5.3770    4.2943   -5.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0381    3.5725   -4.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568    2.6907   -3.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1806    3.2008   -1.9276 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8415    2.3317   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9871    0.9490   -1.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7139    0.0533    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8956    0.3946    0.9569 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996   -1.2423    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9940   -0.9525    0.3708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8442   -2.2252    0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3698   -1.9607    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9057   -1.1808   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7214   -1.2141    1.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0655   -3.2550    0.5644 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4371    0.4408   -2.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    1.3124   -3.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6817    4.9242   -5.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0844    4.2746   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4893    2.7373    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2783   -1.8909   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1418   -1.7705    1.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1460   -0.3514    1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3296   -0.3392   -0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6411   -2.8209   -0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5131   -2.8328    1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5006   -0.1641   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6524   -1.6798   -1.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972   -1.0815   -0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3017   -0.2026    1.8379 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8063   -1.1075    1.9459 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.7425    2.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8533   -3.7889   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7347   -3.8124    1.3506 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -0.6268   -2.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.9079   -4.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 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
M  END
$$$$

✍: FYIcenter.com

2020-10-26, 3662👍, 0💬