Molecule FYI-1015345

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A

Molecule Summary:

ID: FYI-1015345
Names:
InChIKey: LHRMJIAMEWRPOV-UHFFFAOYSA-N
SMILES: CCCCc1ccc(NC(=O)CC(C)(C)C)cc1

Received at FYIcenter.com on: 2025-08-08

Molecule ID: FYI-1015345 Edit

Molecule Structure InChIKey: LHRMJIAMEWRPOV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCc1ccc(NC(=O)CC(C)(C)C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015345
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
   11.0995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015345-3D
FYIcenter.com

 43 43  0     0  0  0  0  0  0999 V2000
   -2.1655    1.9232    0.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4981   -0.2665    0.5876 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7096   -0.1994   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7771    0.4246    1.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0669   -0.4946    0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403   -1.5188   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9443    0.7737   -1.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    0.7952    0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9744   -0.3330   -0.9185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013    0.0715    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366   -0.3155   -0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1338   -0.2828    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3686    0.0889   -0.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9438   -1.4634    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7847    0.8491   -0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990   -1.4471    0.3727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398    0.8657   -0.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    0.5292    0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2265    1.3414    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -0.2573    1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5207    0.4209    0.9998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9532   -1.1985    1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7742   -0.9341   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8612   -2.0116   -1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2291   -1.3587   -1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9091   -2.2176    0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3311    1.7344   -0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6712    0.3671   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0202    0.9690   -1.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479   -1.3327   -1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    0.3403   -1.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7720   -0.6234    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178    1.0658    0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -1.1419    0.9705 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6690   -0.9100   -0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005    0.7709   -1.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5194   -2.3764    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2368    1.7502   -1.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469   -2.3466    0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0732    1.8041   -0.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1908   -0.1493    1.8017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0224    1.5396    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3204    0.5326    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 13  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  2  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
M  END
$$$$

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2025-08-18, 1273👍, 0💬