Molecule FYI-1016304

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Molecule Summary:

ID: FYI-1016304
Names:
InChIKey: FHBZJDMBTFNACC-UHFFFAOYSA-N
SMILES: C=C(CNC(C)c1ccccc1)C2CC=C(CO)CC2

Received at FYIcenter.com on: 2025-12-03

Molecule ID: FYI-1016304 Edit

Molecule Structure InChIKey: FHBZJDMBTFNACC-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016304
FYIcenter.com

 43 44  0  0  0  0  0  0  0  0999 V2000
    2.6302    6.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302    7.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    8.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    9.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   10.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922    9.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   11.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922   12.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2922   14.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   14.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   14.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   12.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    8.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    5.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    4.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302    3.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302    2.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    1.4095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    4.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5129    9.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7291    8.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5129   11.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5129   14.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0715   16.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302   14.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302   11.9809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4095    9.8666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1888    7.7523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7048    6.8587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1888    3.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9254    0.8936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207    2.1143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5556    3.0079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2603    5.6380    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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  1  5  1  0  0  0  0
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  4 22  1  0  0  0  0
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  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
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 14 33  1  0  0  0  0
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 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016304-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    0.8270    0.1682    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1692    0.0942    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220    0.7558   -1.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1791    1.8475   -1.7254 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9467    2.5260   -2.7822 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2309    1.6050   -3.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    3.7714   -3.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8409    5.0239   -3.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1926    6.1615   -3.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    6.0616   -4.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    4.8266   -4.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    3.6899   -3.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -0.6296    1.0766 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4985   -0.7785    2.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242   -1.9148    2.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493   -2.9309    1.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3648   -3.9701    1.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871   -3.9725    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263   -3.0743    0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353   -2.0135    0.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2286    0.6732   -0.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2678   -0.2901    0.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3312   -3.7671    2.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7884   -4.9664    2.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9556   -1.9584   -0.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -2.3497    1.2336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
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 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
M  END
$$$$

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2025-12-09, 351👍, 0💬