Molecule FYI-1007728

A

Molecule Summary:

ID: FYI-1007728
Names:
InChIKey: XEXQODFUADCABX-UHFFFAOYSA-N
SMILES: CC(C)Oc1ccc(Cl)cc1C(=O)NCCC(=O)N(C)C

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

Molecule ID: FYI-1007728 Edit

Molecule Structure InChIKey: XEXQODFUADCABX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Oc1ccc(Cl)cc1C(=O)NCCC(=O)N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007728
FYIcenter.com

 21 21  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
    6.0621    6.3000    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
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  9  3  1  0  0  0  0
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  1 17  1  0  0  0  0
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 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007728-3D
FYIcenter.com

 42 42  0  0  0  0  0  0  0  0999 V2000
    1.2656    0.0612    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5725   -0.6460    1.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3477   -1.6419    2.3135 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0310   -1.3403    0.0041 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3734   -1.5917   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.1431    0.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7075   -1.3898    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1183   -2.0977   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7922   -2.3982   -0.8158 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1773   -2.5668   -1.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7989   -2.3314   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9097   -2.9256   -2.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4051   -3.6141   -3.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5577   -2.6890   -2.2768 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6428   -3.2298   -3.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651   -4.6335   -2.9099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -5.1892   -3.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1077   -4.5265   -4.9412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023   -6.4646   -3.7262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0181   -7.2931   -2.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2087   -7.0498   -4.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8582    0.5828    1.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5155   -0.6413    0.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    0.8023    0.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2593    0.1497    1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0965   -0.5928    1.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4348   -1.0226    1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5209   -3.1264   -2.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1980   -2.1346   -1.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -3.2406   -4.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7979   -2.5372   -3.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512   -4.5952   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0267   -5.3061   -2.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6701   -6.8247   -1.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175   -8.2380   -2.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9600   -7.4968   -2.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3760   -6.3948   -5.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1698   -7.2460   -4.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824   -7.9924   -5.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  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
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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