Molecule FYI-1012712

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A

Molecule Summary:

ID: FYI-1012712
Names:
InChIKey: NXKJZOGRRHRBDH-UHFFFAOYSA-N
SMILES: CC(N)Cc2cc1OCOc1c3ccccc23

Received at FYIcenter.com on: 2024-10-12

Molecule ID: FYI-1012712 Edit

Molecule Structure InChIKey: NXKJZOGRRHRBDH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(N)Cc2cc1OCOc1c3ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1012712
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2158    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  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
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  2  0  0  0  0
 17  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012712-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    2.2507    1.4979    1.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485    0.1137    1.5344 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4045   -0.0814    1.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6223   -1.0198    0.8256 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228   -1.0176    1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5335   -1.1828    2.4215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8745   -1.2622    2.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4098   -1.4565    3.9336 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   -1.6457    3.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856   -1.3197    2.2163 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8238   -1.1793    1.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860   -0.9947    0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4787   -0.9076   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1362   -0.7445   -1.9625 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970   -0.6630   -2.3199 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8013   -0.7433   -1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053   -0.9144    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962    2.2823    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0530    1.6065   -0.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3161    1.6862    1.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0339    0.0738    2.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1750    0.0056    0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1051    0.6654    1.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3895   -0.9987   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449   -1.9921    1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147   -1.2810    3.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0513   -2.6983    3.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4139   -1.0230    4.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5306   -0.9727   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9124   -0.6832   -2.7200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5204   -0.5371   -3.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747   -0.6701   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  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
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  2  0  0  0  0
  6  7  2  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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