Molecule FYI-1015848

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A

Molecule Summary:

ID: FYI-1015848
Names:
InChIKey: QNXCCWZROSMECZ-UHFFFAOYSA-N
SMILES: CCCC(C(O)c2ccc1OCOc1c2)N(C)C

Received at FYIcenter.com on: 2025-10-21

Molecule ID: FYI-1015848 Edit

Molecule Structure InChIKey: QNXCCWZROSMECZ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015848
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.3669    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015848-3D
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
    2.6367   -1.3345   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3959   -0.0164   -0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819    0.0566    1.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6507    0.0105    1.3990 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2249    1.2034    0.5100 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7345    2.4458    1.0306 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7447    1.2805    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4705    2.4326    0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8647    2.4241    0.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5151    1.2702    0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    1.0471    0.5571 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9316   -0.3190    0.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6589   -0.8604   -0.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8322    0.1806   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4556    0.1630   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0710    0.0134    2.8580 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512   -1.1686    3.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280    0.0055    3.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0444   -1.3749   -1.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392   -2.1823   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6903   -1.4552   -0.9974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3150    0.0862    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6844    0.8230   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6638   -0.7782    1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7377    0.9693    1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851   -0.9337    0.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8296    1.1194   -0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938    2.3473    1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391    3.3257    1.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    3.2790    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3280   -0.9396    0.9154 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6257   -0.3641   -0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -0.7286   -0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -1.1061    3.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9721   -1.2334    4.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919   -2.1009    3.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539    0.9862    2.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0243   -0.7679    2.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7865   -0.1820    4.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  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 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  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 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$

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2025-10-24, 685👍, 0💬