Molecule FYI-1000334

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A

Molecule Summary:

ID: FYI-1000334
SMILES: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NCC(C)C

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

Molecule ID: FYI-1000334 Edit

Molecule Structure SMILES String: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NCC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000334
FYIcenter.com

 19 19  0  0  1  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  6  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000334-3D
FYIcenter.com

 41 41  0  0  1  0  0  0  0  0999 V2000
   -2.8815   -5.4268   -4.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8381   -4.5695   -3.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313   -3.6172   -3.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8356   -2.7799   -2.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -2.8632   -1.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8496   -3.8409   -1.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8371   -4.6721   -2.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228   -5.5690   -2.5619 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9580   -1.8823    0.0766 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7840   -0.8780    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9052   -2.7060    1.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8643   -3.0934    1.9448 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453   -2.9508    1.9352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1362   -3.7036    3.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2400   -1.1046   -0.0049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4132   -0.3324   -1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7382    0.4541   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8346    1.2434   -2.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9589   -0.4559   -1.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9654   -5.3255   -5.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7259   -5.1319   -5.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -6.4818   -4.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412   -3.5052   -3.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390   -2.0446   -1.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6738   -3.9369   -0.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063   -0.2311    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6824   -0.2312   -0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241   -1.3953    0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1676   -3.9720    3.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7335   -3.0928    3.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5595   -4.6286    3.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3117   -0.4918    0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3978   -0.9946   -2.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5982    0.3885   -1.3580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7408    1.1723   -0.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8014    0.5754   -3.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0034    1.9513   -2.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7671    1.8143   -2.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9859   -1.2143   -1.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8841    0.1277   -1.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9584   -0.9692   -0.1463 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  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2556👍, 0💬