Molecule FYI-1000331

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A

Molecule Summary:

ID: FYI-1000331
SMILES: CC(C)CN[C@](C)(c1cc(cc(c1)F)F)C(=O)OC

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000331 Edit

Molecule Structure SMILES String: CC(C)CN[C@](C)(c1cc(cc(c1)F)F)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1000331
FYIcenter.com

 19 19  0  0  1  0  0  0  0  0999 V2000
    8.5871    4.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337    4.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    3.5414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    4.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    5.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    2.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806    1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6802    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9069    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535    3.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787    2.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2268    4.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5414    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000331-3D
FYIcenter.com

 38 38  0  0  1  0  0  0  0  0999 V2000
    2.2542   -5.0433   -2.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -5.3621   -2.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848   -6.6033   -3.0449 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -4.1652   -2.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4176   -3.0338   -1.7927 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749   -1.7504   -2.1707 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6564   -0.7669   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5976   -1.2452   -3.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -1.5109   -4.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9197   -1.0198   -5.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7549   -0.2818   -6.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9960   -0.0572   -4.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3947   -0.5332   -3.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.6397   -5.0599 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6634   -1.2687   -7.0525 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6349   -1.8170   -2.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377   -1.2587   -2.7761 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172   -2.5086   -0.9131 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4303   -2.4747   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6880   -5.8998   -1.7558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8722   -4.8046   -3.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417   -4.1938   -1.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799   -5.6021   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6998   -6.4250   -4.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932   -7.4481   -2.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0380   -6.9020   -3.0241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2363   -3.9203   -3.7117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6410   -4.4484   -2.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601   -3.3047   -0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593    0.2368   -1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0285   -1.0914   -0.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5688   -0.6814   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2491   -2.0929   -4.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4445    0.1009   -7.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7370   -0.3319   -2.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241   -2.8021    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8336   -1.4607   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.1594   -1.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  6  0  0  0
  6  7  1  0  0  0  0
  6  5  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 35  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 368👍, 0💬