Molecule FYI-1007729

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A

Molecule Summary:

ID: FYI-1007729
Names:
InChIKey: FJTLXGZKBKJAFW-UHFFFAOYSA-N
SMILES: CCOc1ccc(Cl)cc1C(=O)NCCC(=O)N(C)C

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007729 Edit

Molecule Structure InChIKey: FJTLXGZKBKJAFW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1ccc(Cl)cc1C(=O)NCCC(=O)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007729
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6000    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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    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  6  1  0  0  0  0
  9  8  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 16 12  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007729-3D
FYIcenter.com

 39 39  0  0  0  0  0  0  0  0999 V2000
    1.0463    0.9436    0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5554    1.0050    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -0.1542    1.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3729   -0.2387    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2725    0.7136    1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6395    0.6118    1.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1237   -0.4476    2.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8147   -0.5612    2.3914 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2515   -1.4042    2.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8643   -1.3222    2.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -2.4053    2.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5262   -3.2938    3.6439 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -2.3493    2.7532 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7157   -3.3527    3.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1500   -2.9964    4.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725   -4.0573    5.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0894   -5.0370    4.3939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4222   -3.8671    6.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1849   -2.7330    7.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3560   -4.8702    6.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6563    1.8288    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6112    0.8873    1.6131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7294    0.0486    0.0672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8418    1.9118    1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9660    1.0218   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9462    1.5623    0.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3107    1.3705    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532   -2.2288    3.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.5770    2.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181   -4.3247    3.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9083   -3.4189    2.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6275   -2.0346    4.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9700   -2.9080    5.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5214   -2.0125    6.8076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2097   -3.1046    8.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -2.2247    7.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4909   -5.6975    6.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3275   -4.3967    7.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768   -5.2722    7.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

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2024-03-23, 995👍, 0💬