Molecule FYI-1008770

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A

Molecule Summary:

ID: FYI-1008770
Names:
InChIKey: YYLISDYIAFTBRK-UHFFFAOYSA-N
SMILES: C#CCNC(=O)c1ccccc1OCC=C

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008770 Edit

Molecule Structure InChIKey: YYLISDYIAFTBRK-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCNC(=O)c1ccccc1OCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008770
FYIcenter.com

 16 16  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   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
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  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  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008770-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
   -0.1826   -1.2561   -0.7779 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    2.5021   -0.7364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0141    1.0064    0.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696    0.7418   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -0.6019   -0.3867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376    1.3931    0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231   -1.2944   -0.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165    1.4833   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6482    0.7005    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911   -0.6431    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2065   -2.3923   -0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064    1.6447    0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871   -2.5540   -0.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    1.1134   -0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135   -2.5230    0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114    0.6797   -0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184    2.4394    0.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5746   -2.3389   -0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5575    1.2075    0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6341   -1.1817    0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1064   -2.2818    1.0376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2786   -3.2835   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8537    0.1711    1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1855    2.7256    0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6747    1.4593    1.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086   -2.7083   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5820   -2.6474    0.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443   -2.3711    1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6939    0.2935   -1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  3  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 866👍, 0💬