Molecule FYI-1015404

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A

Molecule Summary:

ID: FYI-1015404
Names:
InChIKey: YELGFTGWJGBAQU-UHFFFAOYSA-N
SMILES: CNC(C)C(=O)c1ccc(C)cc1

Received at FYIcenter.com on: 2025-08-31

Molecule ID: FYI-1015404 Edit

Molecule Structure InChIKey: YELGFTGWJGBAQU-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(C)C(=O)c1ccc(C)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1015404
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015404-3D
FYIcenter.com

 28 28  0     1  0  0  0  0  0999 V2000
    1.6085    1.7661   -0.5392 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1309   -0.2940    0.8640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568   -0.5434   -0.2840 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2145    0.5937   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050    0.3138   -0.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0888   -0.5869   -1.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188   -0.9193   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    1.2792    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9283   -0.2213    0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0803   -1.1869   -0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4147    1.0118    0.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850   -0.7051    2.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3843   -0.5079    0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7856   -1.5234   -0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -0.7347   -2.4327 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8129   -1.4086   -1.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    0.3467   -1.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9931   -0.8289    0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989   -1.6830   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6709    2.2439    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4701   -2.1489   -0.7968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648    1.7710    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2423   -1.7730    2.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1654   -0.5242    2.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5748   -0.1306    2.2977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5779   -0.9680    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9781    0.4091    0.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7364   -1.1858   -0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

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2025-11-06, 728👍, 0💬