Molecule FYI-1005765

A

Molecule Summary:

ID: FYI-1005765
Names:
InChIKey: IDMPEWXHBJHVIQ-UHFFFAOYSA-N
SMILES: COC(=O)Nc2ccc(Cc1ccc(NC(=O)OC)cc1)cc2

Received at FYIcenter.com on: 2023-11-13

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
  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  4  2  0  0  0  0
  8  2  2  0  0  0  0
  9  8  1  0  0  0  0
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 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
    3.1599   -0.5344   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -5.5922    1.0798    0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    1.0803   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5947    2.3390    0.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5928    2.3397   -0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0188   -1.5866    2.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7093   -0.2783    1.5999 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -4.9142    0.8481   -1.7369 H   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1 20  1  0  0  0  0
  1 22  1  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  5 34  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 26  1  0  0  0  0
 11 17  1  0  0  0  0
 11 27  1  0  0  0  0
 12 18  2  0  0  0  0
 12 28  1  0  0  0  0
 13 19  2  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1575👍, 0💬