Molecule Editor

Molecule ID: FYI-1016305 Edit

Molecule Structure InChIKey: DBAFUWIIGHSXKE-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CN(C)C(C)c1ccccc1)C2CC=C(CO)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016305
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
    6.1090    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3308    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5527    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    3.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2181    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    4.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6617    3.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6617    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    1.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3308    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090    5.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4399    5.6433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8835    4.2325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8835    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4399    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9963    1.4108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8872    7.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1818    2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5926    2.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
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  8  9  2  0  0  0  0
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 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
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 18 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016305-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    1.0547    0.7482   -0.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552    0.2126   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.6683    1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628    1.1862    2.2930 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    0.1409    2.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    1.8326    3.3539 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1072    0.9144    4.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149    3.1515    2.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9779    4.3442    2.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    5.5699    2.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8460    5.6232    2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5853    4.4508    2.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0252    3.2268    2.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296   -0.9025   -0.8808 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1242   -1.4554   -2.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395   -0.5333   -3.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0695    0.4272   -3.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0021    1.4091   -4.5740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366    2.7298   -4.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337    0.5904   -2.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -0.4938   -1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6281    1.5372    0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.4333   -1.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7247    1.4482    0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6813   -0.1615    1.5101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -0.3951    2.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
$$$$