Molecule FYI-1004428

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A

Molecule Summary:

ID: FYI-1004428
Names:
InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N
SMILES: CCN(CC)C(=O)c1cccc(C)c1

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004428 Edit

Molecule Structure InChIKey: MMOXZBCLCQITDF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)c1cccc(C)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004428
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 N   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
    6.0622    1.4000    0.0000 C   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
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    3.5000    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
    1.2125    1.4000    0.0000 C   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    0.0000    0.0000 C   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004428-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
   -1.2174   -1.3380    1.5662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993    0.2596    0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3035    0.2656    0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5386    1.1619   -1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512   -0.5616    0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4304   -0.5234    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0988   -0.7564   -0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1414    2.5287   -0.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3284    0.3767    0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    0.4111    0.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581   -1.3889   -0.8199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0815   -0.4543   -0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1836   -1.3543   -1.2528 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142    1.3734    0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3716    0.0207    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7183    1.2705    0.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7183    0.7453   -1.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3914    1.2521   -1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0678   -0.5443   -1.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7017   -1.7659   -0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1459   -0.7510   -0.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9693    2.9992   -0.0307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2902    2.4884    0.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    3.1841   -1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980    1.0451    1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1669   -2.0942   -1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110   -0.4360   -1.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5163   -2.0279   -2.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    1.5291    2.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6426    1.0010    0.8827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615    2.3370    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1718👍, 0💬