Molecule FYI-1001667

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A

Molecule Summary:

ID: FYI-1001667
SMILES: COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C

Received at FYIcenter.com on: 2022-10-28

Molecule ID: FYI-1001667 Edit

Molecule Structure SMILES String: COC1=CC=CC(=C1)C1(O)CCCCC1CN(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001667
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    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
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   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
    0.0000    4.2000    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  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
 15 14  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001667-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    0.5122   -1.0131    0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6749   -1.4959    0.9304 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6971   -1.9370    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6459   -2.1591   -1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881   -2.6009   -1.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9830   -2.8125   -1.2014 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689   -2.6074    0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8892   -2.1770    0.8259 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3816   -2.8128    0.9592 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4282   -3.1054    0.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -4.0478    1.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5162   -3.8399    3.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9760   -2.6067    3.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554   -1.3354    3.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8997   -1.5706    1.7583 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9495   -0.3085    0.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121    0.9379    1.4139 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9097    0.7894    1.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    1.9970    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1439   -0.5792    1.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0287   -1.8331   -0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7562   -0.2224   -0.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393   -1.9995   -1.8042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7539   -2.7751   -2.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8508   -3.1285   -1.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602   -1.9993    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2776   -4.0088   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3495   -4.3224    2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9409   -4.9195    1.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6207   -4.7258    3.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4483   -3.7796    2.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9333   -2.8427    4.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2647   -2.4092    4.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7117   -0.6107    3.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1861   -0.8601    2.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9406   -1.8020    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9194   -0.0774    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4946   -0.5567   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215    0.0420    2.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2774    1.7318    2.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5636    0.5167    0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4011    2.1435    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0473    1.7661   -0.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7714    2.9553    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  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
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
$$$$

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2022-11-19, 393👍, 0💬