Molecule FYI-1001219

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Molecule Summary:

ID: FYI-1001219
SMILES: c1cccc(c1C(=O)N(CCc1ccc(c(c1)OC)OC)C)OC

Received at FYIcenter.com on: 2022-03-20

Molecule ID: FYI-1001219 Edit

Molecule Structure SMILES String: c1cccc(c1C(=O)N(CCc1ccc(c(c1)OC)OC)C)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001219
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22  9  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001219-3D
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
    2.8166    1.7462   -3.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461    1.8455   -5.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    2.9175   -5.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6644    3.8600   -4.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4978    3.7452   -3.5976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767    2.7306   -2.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    2.7515   -1.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3174    3.4785   -0.7983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762    2.0680   -0.4884 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9334    0.8930   -0.7590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566   -0.4163   -0.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8758   -1.7478   -0.5418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962   -1.9490   -0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7713   -3.2331   -0.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0418   -4.3390   -0.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182   -4.1425    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1552   -2.8617   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326   -5.0541    0.5368 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3199   -6.3128    0.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5825   -5.5890   -0.2658 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6460   -5.9260   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    2.3483    0.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6821    4.6578   -2.9671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614    4.8994   -3.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2028    0.8438   -3.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777    1.0707   -5.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    3.0098   -6.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    4.6873   -5.5373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813    0.9376   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3986    0.9539   -1.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225   -0.4674   -1.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039   -0.3541    0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8103   -1.1300   -1.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8116   -3.3390   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153   -2.7354    0.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5222   -6.7899    1.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1811   -6.2122    1.6443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5342   -6.9612    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7752   -7.0125   -1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5843   -5.4687   -0.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4129   -5.6572   -2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    3.3297    1.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9037    2.3227    1.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2758    1.5874    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272    5.1154   -2.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110    4.0396   -4.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4642    5.7786   -4.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  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 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  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 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 1276👍, 0💬