Molecule FYI-1015614

A

Molecule Summary:

ID: FYI-1015614
Names:
InChIKey: FOPHVKIMXPSMFA-UHFFFAOYSA-N
SMILES: CC2(C)CC(NC(=O)c1cccc(C(=O)O)c1)CC(C)(C)N2

Received at FYIcenter.com on: 2025-09-15

Molecule ID: FYI-1015614 Edit

Molecule Structure InChIKey: FOPHVKIMXPSMFA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2(C)CC(NC(=O)c1cccc(C(=O)O)c1)CC(C)(C)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015614
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.3996    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   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
    3.6374    2.8000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996    6.1124    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  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015614-3D
FYIcenter.com

 46 47  0  0  0  0  0  0  0  0999 V2000
   -2.3820    0.9758   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    0.2608   -0.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6491    0.4515    1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840   -1.2268   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0640   -1.9774    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0796   -3.3807   -0.3174 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7237   -4.3460    0.4430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2924   -4.1071    1.4939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6753   -5.7464   -0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -6.2074   -0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4501   -7.5545   -1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357   -8.4535   -0.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5917   -8.0054    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6679   -8.9002    0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7994   -8.5007    0.7523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2924  -10.1744    0.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6672   -6.6450    0.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -1.2833   -0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2528    0.2151   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3700    0.8915   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6414    0.4168    1.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9151   -0.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3704    0.5605   -0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2264    0.8612   -1.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154    2.0493   -0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    0.0910    1.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6198    1.5099    1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0024   -0.0973    2.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2946   -1.3119   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2099   -1.7038   -0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802   -1.9719    1.1959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380   -3.6078   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1945   -5.5439   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2849   -7.9062   -1.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4612   -9.4898   -1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403  -10.3684    0.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4915   -6.2874    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636   -1.3959   -1.4903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889   -1.8005    0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3516    0.4607   -0.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    1.9673   -0.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2041    0.7728   -1.9365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637    0.0635    1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0070   -0.1319    2.1433 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    1.4776    1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.1017   -1.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 294👍, 0💬