Molecule FYI-1002982

A

Molecule Summary:

ID: FYI-1002982
Names:
InChIKey: GVDFGBHDNQFTDE-ZHDDOTHNSA-N
SMILES: COc3cc2CN1C[C@@H](C(C)C)[C@H](O)CC1c2cc3OC

Received at FYIcenter.com on: 2023-05-04

Molecule ID: FYI-1002982 Edit

Molecule Structure InChIKey: GVDFGBHDNQFTDE-ZHDDOTHNSA-N

Molecule Structure SMILES String: COc3cc2CN1C[C@@H](C(C)C)[C@H](O)CC1c2cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002982
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    9.7512    7.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5387    7.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3263    7.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3263    5.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    4.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    5.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    7.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    7.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1139    9.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9014    9.8135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2535    3.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    3.3978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  6  1  0  0  0  0
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  8  3  1  0  0  0  0
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 15 19  1  1  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002982-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    2.1075   -1.0289   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904   -0.3422   -0.1675 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    0.4900   -1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.7629   -1.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    2.7976   -1.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    4.2799   -1.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1517    4.5758   -1.3515 N   0  0  3  0  0  0  0  0  0  0  0  0
    1.9804    4.8898    0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    3.6579    0.9384 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8550    3.8311    2.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2679    4.4261    2.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398    4.5988    3.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    2.7794    0.7639 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2031    1.5466    1.4366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6205    2.5627   -0.7381 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4101    3.3588   -1.8600 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5018    2.4970   -2.5718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945    1.2328   -3.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    0.1984   -2.4960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -1.1106   -2.8655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.3544   -4.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2209   -1.9397    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7021   -1.3248   -1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1084    1.2236    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
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  9 10  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 44  1  0  0  0  0
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 21 46  1  0  0  0  0
M  END
$$$$

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2023-05-31, 1133👍, 0💬