Molecule Editor

Molecule ID: FYI-1005765 Edit

Molecule Structure InChIKey: IDMPEWXHBJHVIQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)Nc2ccc(Cc1ccc(NC(=O)OC)cc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005765
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0622    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
    3.6373    2.8000    0.0000 N   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
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   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
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 17  2  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 22 12  2  0  0  0  0
 23 10  1  0  0  0  0
 23  1  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005765-3D
FYIcenter.com

 41 42  0     0  0  0  0  0  0999 V2000
   -6.5878    1.7844   -0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5860    1.7849    0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5361    0.9148    1.3950 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5344    0.9156   -1.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6964    0.6063   -0.7731 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6947    0.6065    0.7730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0008   -2.4882   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2346   -1.6751   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2527   -1.6621    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0077   -1.2951    0.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0061   -1.2948   -0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6153   -1.2948   -1.4904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6136   -1.2949    1.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5423   -0.1543   -0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5406   -0.1541    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1616   -0.5348    0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7691   -0.5342   -1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675   -0.5344    1.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7076   -0.2776   -1.6004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0540   -0.2448   -2.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0523   -0.2451    2.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9124    0.8481    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1150    1.5414    0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3172    2.8690   -0.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1468    3.0514    1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3153    2.8695    0.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1450    3.0522   -1.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1132    1.5422   -0.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 23  1  0  0  0  0
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 23 41  1  0  0  0  0
M  END
$$$$