Molecule FYI-1001572

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A

Molecule Summary:

ID: FYI-1001572
SMILES: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

Received at FYIcenter.com on: 2022-09-13

Molecule ID: FYI-1001572 Edit

Molecule Structure SMILES String: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001572
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  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
 14  9  1  0  0  0  0
 15 14  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
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  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
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 12  1  0  0  0  0
 28 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001572-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    0.7721   -0.0522    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2149   -0.1069    0.0604 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611    0.9745   -0.8905 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6311    0.5871   -2.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2986   -0.7671   -2.6174 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5776   -1.8354   -1.7800 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5838   -1.4998   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0829   -3.1460   -2.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8412   -0.7794   -2.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6766   -0.4300   -1.5191 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0717   -0.4499   -1.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938   -0.8314   -2.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9209   -1.2133   -3.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150   -1.1907   -3.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7164   -1.5887   -4.8524 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3060   -2.0045   -6.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6185   -2.0539   -6.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5365   -1.6493   -5.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400   -1.7065   -5.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3692   -2.4147   -7.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9672   -3.7596   -7.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1234   -4.2132   -8.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698   -3.3295   -9.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557   -1.9893   -9.0779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9011   -1.5314   -8.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3490    0.1391   -8.0771 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0559   -0.8354   -2.8504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3195   -0.0505   -0.2602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901    0.9331    0.7221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4955   -0.7743    1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1829   -0.2583   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085    1.4421   -0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648    1.8181   -0.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1220    1.3785   -2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    0.5348   -2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9958   -0.9987   -3.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5265   -1.8629   -2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623   -1.7590    0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392   -2.2178    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -3.1344   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612   -0.1638   -0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -2.3849   -7.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3176   -4.4658   -6.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255   -5.2590   -8.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0171   -3.6839   -9.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6997   -1.3068   -9.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4212   -0.5135   -2.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3723   -0.1102   -0.0804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

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2022-10-07, 407👍, 0💬