Molecule FYI-1001227

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Molecule Summary:

ID: FYI-1001227
SMILES: c1cc2c(cc1O)c3c(o2)C(=O)NCCC3

Received at FYIcenter.com on: 2022-03-25

Molecule ID: FYI-1001227 Edit

Molecule Structure SMILES String: c1cc2c(cc1O)c3c(o2)C(=O)NCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001227
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    1.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    3.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1903    3.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7405    4.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1114    2.0409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    0.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3413    0.5502    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  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  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001227-3D
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   -3.6374   -0.1838    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6838   -1.2025    0.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3723   -0.8079   -0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695    0.5116   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9515    1.5215   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2726    1.1473    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2595    2.0868    0.1142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479    0.4691   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8208   -0.8559   -0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2974   -1.6342   -0.1386 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0985   -1.5068   -0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -2.6978   -0.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1368   -0.8036    0.4793 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4917    0.5974    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4012    1.6443    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3762    1.6121   -0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6738   -0.4313    0.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9399   -2.2437    0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6710    2.5599   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8689    2.9659   -0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9199   -1.4329    0.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9648    0.7097   -0.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2664    0.7726    1.1025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8797    2.6317    0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9134    1.5280    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8726    1.5458   -1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8163    2.5546   -0.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 17  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 444👍, 0💬