Molecule FYI-1000189

Home > Molecule

A

Molecule Summary:

ID: FYI-1000189
SMILES: Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1C

Received at FYIcenter.com on: 2020-11-11

Molecule ID: FYI-1000189 Edit

Molecule Structure SMILES String: Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000189
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    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
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   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
    2.4249    3.5000    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
    0.0000    3.5000    0.0000 C   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
    1.2125    1.4000    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  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  5  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000189-3D
FYIcenter.com

 38 39  0  0  0  0  0  0  0  0999 V2000
    1.7786    1.4887    0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5072    0.6825   -0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    1.3455   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9282    0.6285   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9073   -0.7693   -0.0339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -1.5906   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643   -2.8090    0.0616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2462   -0.8079   -0.1637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4879   -1.5107   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9190   -1.8974    1.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6478   -1.1487    1.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855   -3.1014    1.7144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6113   -3.7126    2.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6297   -3.3248    3.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7735   -3.9372    5.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9032   -4.9538    5.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030   -5.3732    4.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7634   -4.7633    3.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772   -1.4379   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -0.7270    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8314   -1.4877    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731    2.5642   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810    1.2539   -0.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3582    1.2788    0.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674    2.4335   -0.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8666    1.1774   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4694   -2.3893   -0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2548   -0.8407   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6288   -3.4856    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3384   -2.5465    3.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5629   -3.6097    5.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0054   -5.4142    6.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2240   -6.1679    4.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9684   -5.1025    2.6843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -2.5274    0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -2.5697    0.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3960   -1.2316    0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317   -1.2593   -0.8393 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 20  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  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 29  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 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-15, 3185👍, 0💬