Molecule FYI-1005551

A

Molecule Summary:

ID: FYI-1005551
Names:
InChIKey: CFTWBSAMLCMKOV-UHFFFAOYSA-N
SMILES: CC(=O)N(c1ccccc1)c3cc2oc(=O)cc(C)c2cc3C=O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005551 Edit

Molecule Structure InChIKey: CFTWBSAMLCMKOV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)N(c1ccccc1)c3cc2oc(=O)cc(C)c2cc3C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005551
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  5  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005551-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    2.7733   -1.4920   -3.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3367   -0.1997   -2.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4102    0.4277   -3.0541 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    0.1677   -1.3845 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4113    0.9540   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0319    1.2268   -0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4253    2.0006    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    2.5056    1.7195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    2.2254    1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1483    1.4618    0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3575   -0.2829   -1.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5391   -1.3006   -0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8248   -1.7157    0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530   -2.7654    0.9897 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8742   -2.6730    1.8868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7638   -3.0753    3.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482   -2.1810    1.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2522   -1.4895    0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6288   -1.0494   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9886   -1.1239   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7993   -0.1762   -1.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4865    0.2337   -1.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3093    1.2522   -2.8955 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    1.6525   -3.5602 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0646   -1.7353   -4.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7443   -2.3101   -2.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7674   -1.3989   -3.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746    0.8384   -1.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6418    2.2044    0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7093    3.1113    2.4894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    2.6058    2.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2159    1.2926    0.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937   -1.7520    0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0005   -2.3973    2.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6898   -0.6197   -1.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3127   -1.9102   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0141   -0.3186    0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6541    0.2947   -1.9551 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2940    1.6284   -3.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 1980👍, 0💬