Molecule FYI-1007768

A

Molecule Summary:

ID: FYI-1007768
Names:
InChIKey: RLFPNMIPBQYCEA-UHFFFAOYSA-N
SMILES: C=C(C)C(=O)NCCOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007768 Edit

Molecule Structure InChIKey: RLFPNMIPBQYCEA-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C(=O)NCCOC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007768
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  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
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007768-3D
FYIcenter.com

 47 48  0  0  0  0  0  0  0  0999 V2000
    2.9725    1.7632    5.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3717    0.7716    5.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    0.0033    4.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8370    0.4561    4.9788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6519    1.0805    5.6504 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986   -0.5830    4.1595 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621   -1.0513    4.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4339   -0.3339    3.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801   -0.8113    3.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9825   -2.0682    2.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4851   -2.5086    1.7206 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584   -2.8867    3.7416 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2503   -2.8420    3.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0073   -2.2494    4.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3977   -2.2904    4.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0508   -2.8978    3.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3135   -3.4578    2.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083   -3.4562    2.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1618   -4.1181    1.4800 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6575   -5.0379    0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3996   -6.1875    0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5427   -6.7321    2.5047 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.0080   -6.9857   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8560   -6.6833   -1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0781   -5.5919   -1.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4913   -4.7770   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5573   -3.4223   -1.4035 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6788    2.3120    6.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3771    0.3648    4.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4099   -1.0572    4.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6547    0.0988    3.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5145   -1.0732    3.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5251   -2.1261    3.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189   -0.9504    5.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4415    0.7459    3.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676   -0.4870    2.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4014   -3.9214    3.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4666   -2.5482    4.7458 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5134   -1.7851    5.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9641   -1.8640    5.4143 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1355   -2.9530    3.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8628   -3.9186    1.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4380   -3.5108    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5974   -7.8518    0.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3303   -7.3066   -2.2182 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9400   -5.3732   -2.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1040👍, 0💬