Molecule FYI-1010544

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A

Molecule Summary:

ID: FYI-1010544
Names:
InChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-N
SMILES: COc2ccc(C(=O)N1CCCC1=O)cc2

Received at FYIcenter.com on: 2024-06-19

Molecule ID: FYI-1010544 Edit

Molecule Structure InChIKey: ZXNRTKGTQJPIJK-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(C(=O)N1CCCC1=O)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010544
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.6323    5.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 N   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
    4.8498    5.6000    0.0000 O   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    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
    6.2086    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 13  6  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010544-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    1.0236    1.8389    0.2252 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891   -2.4503   -0.1568 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2114    0.5452    0.3455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154   -0.2669   -0.0522 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108    0.5133    0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755   -0.6463   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4096    1.7120   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0195    1.1491    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1009   -1.2397   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910   -0.7719    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129   -0.4827   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8791   -0.6207    1.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3318   -0.0395   -1.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1980   -0.1774    1.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9243    0.1132    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8958    0.8237   -0.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2719    0.5939   -0.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.4055    1.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   -0.7633   -1.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -1.5951    0.0904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    2.0887   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6064    2.5155    0.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5588   -0.5983   -2.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213   -0.8442    2.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8377    0.1683   -1.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6542   -0.0602    2.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0055   -0.0765   -1.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4227    1.6454   -1.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9054    1.1552   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 914👍, 0💬