Molecule FYI-1014333

A

Molecule Summary:

ID: FYI-1014333
Names:
InChIKey: SRWUSPKEOGRBRT-MDWZMJQESA-N
SMILES: C=C(C)C(O)COc2ccc(C(O)CNC(=O)/C=C/c1ccccc1)cc2

Received at FYIcenter.com on: 2025-04-02

Molecule ID: FYI-1014333 Edit

Molecule Structure InChIKey: SRWUSPKEOGRBRT-MDWZMJQESA-N

Molecule Structure SMILES String: C=C(C)C(O)COc2ccc(C(O)CNC(=O)/C=C/c1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014333
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
   10.9119   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    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
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.6999    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  2  0  0  0  0
 15  2  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  2  0  0  0  0
 26 18  1  0  0  0  0
 27 26  2  0  0  0  0
 27 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014333-3D
FYIcenter.com

 52 53  0     1  0  0  0  0  0999 V2000
   -5.4927   -0.4717    0.7223 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1610   -3.1853    0.5369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0564    0.6990   -1.6031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1575    1.0275   -0.1508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0638   -1.1964   -0.8228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003   -1.7664    0.4058 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4492   -1.4266    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322   -1.3111   -0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -1.8936   -0.4821 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1602   -0.7873    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3314    0.6461   -0.3761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1991   -0.3728   -0.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6884   -1.5740   -0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2765   -0.3202    1.6195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8480    2.0417   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100   -0.0277   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8870    2.7089   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1920   -0.1885   -0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2734    2.6726    1.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    0.8459   -0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4448    0.7983   -0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1393   -0.1959   -0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    1.7475    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5324   -0.2410   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5361    1.7025    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    0.7082    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431   -1.3135    1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -0.3334   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4294   -2.0285   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9851   -2.5176   -1.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2453   -0.2675    2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.3901   -0.1959   -1.7862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5862   -1.1659   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9696    2.2033    1.7555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9342    3.6733    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5302    1.8011    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6400   -0.9428   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6184    2.5289    1.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0741   -1.0121   -1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0801    2.4415    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3153    0.6738    0.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 39  1  0  0  0  0
  3 12  1  0  0  0  0
  3 43  1  0  0  0  0
  4 17  2  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  0  0  0  0
 10 15  2  0  0  0  0
 10 32  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 48  1  0  0  0  0
 24 26  2  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1226👍, 0💬