Molecule FYI-1007654

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Molecule Summary:

ID: FYI-1007654
Names:
InChIKey: LSDMAZIZKMMYTB-UHFFFAOYSA-N
SMILES: CCCC(C(=O)c2ccc1OCOc1c2)N(C)C.Cl

Received at FYIcenter.com on: 2024-03-08

Molecule ID: FYI-1007654 Edit

Molecule Structure InChIKey: LSDMAZIZKMMYTB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(C(=O)c2ccc1OCOc1c2)N(C)C.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007654
FYIcenter.com

 19 19  0  0  0  0  0  0  0  0999 V2000
    4.1940    4.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    3.1174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6149    2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3363    2.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8575    1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    1.3156    0.0000 C   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
    1.4365    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9153    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2940    5.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728    6.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0709    7.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9732    8.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148    9.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    7.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4942    7.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154    6.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0577    3.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    4.8682    0.0000 Cl  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  9  1  0  0  0  0
 18  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007654-3D
FYIcenter.com

 39 39  0  0  1  0  0  0  0  0999 V2000
    0.7443   -0.1928   -0.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575   -0.2818   -0.2487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9721   -0.1846   -1.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.3082   -1.5188 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8915   -1.5858   -0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000   -1.4564    0.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -2.9462   -1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3674   -3.9684   -0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973   -5.2263   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720   -5.4367   -1.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6507   -6.5210   -2.1456 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745   -6.2489   -3.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309   -4.9624   -3.7386 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3153   -4.4920   -2.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707   -3.2342   -2.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1740   -0.2430   -2.8596 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    1.0159   -3.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6454   -0.3205   -2.7436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8378    2.8107    1.5893 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2350   -0.2630    0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3898   -1.0264   -1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4689    0.7690   -0.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -1.2521    0.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012    0.5412    0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6914    0.7954   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654   -0.9721   -2.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    0.5560   -0.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7472   -3.7828    0.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7476   -5.9938    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1669   -6.2823   -3.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7369   -6.9836   -4.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8721   -2.5086   -3.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7817    1.0257   -3.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4258    1.1175   -4.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0496    1.9042   -2.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577   -1.2895   -2.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0428    0.5125   -2.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1153   -0.2667   -3.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7036    2.8622    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2024-03-17, 179👍, 0💬