Molecule FYI-1005871

Home > Molecule

A

Molecule Summary:

ID: FYI-1005871
Names:
InChIKey: CIYBYKUVGHSDOO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N(CC)CC

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005871 Edit

Molecule Structure InChIKey: CIYBYKUVGHSDOO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCCCCCCCCC(=O)N(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1005871
FYIcenter.com

 26 25  0  0  0  0  0  0  0  0999 V2000
   25.4613    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3991    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 N   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    0.7000    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    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  5  1  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005871-3D
FYIcenter.com

 75 74  0  0  0  0  0  0  0  0999 V2000
    0.9932   -0.1036   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5109   -0.0986   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    1.1525    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    1.1602    0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0743    2.4128    1.3443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5930    2.4190    1.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1058    3.6690    2.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6235    3.6725    2.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1339    4.9221    2.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6513    4.9252    2.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1584    6.1763    3.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6750    6.1790    3.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1816    7.4303    4.1353 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6959    7.4319    4.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2130    8.6829    4.8251 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7301    8.6489    4.8040 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3027    9.8792    5.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8365    9.8143    5.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3731   11.0801    6.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8835   11.1944    6.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5696   10.2928    5.7006 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4413   12.2859    6.8536 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7076   13.4444    7.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3391   13.4109    8.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9095   12.3248    6.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5718   13.0015    5.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6206   -1.0034   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6064    0.7702   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5993   -0.0835    0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8841   -0.1431   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8770   -0.9927    0.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6626    1.1976    1.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697    2.0469    0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    1.1217   -0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346    0.2699    1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    2.4533    2.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7020    3.3059    0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9727    2.3819    0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9681    1.5272    1.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7300    3.7071    3.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7324    4.5627    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0010    3.6356    1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9986    2.7800    2.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7579    4.9596    3.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7603    5.8152    2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0287    4.8892    1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0263    4.0337    3.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7819    6.2129    4.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7841    7.0683    2.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0526    6.1411    2.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0503    5.2877    3.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8061    7.4680    5.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8061    8.3224    3.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0694    7.3914    3.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0694    6.5394    4.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8486    8.7237    5.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8464    9.5769    4.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    8.6047    3.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0890    7.7499    5.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9523    9.9291    6.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9522   10.7830    4.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1858    9.7605    4.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1858    8.9071    5.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9897   11.0626    7.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9883   11.9316    5.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7882   13.5883    6.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3373   14.3359    7.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.6456   12.6039    9.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8197   14.3560    9.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2132   13.3507    9.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2762   11.3037    6.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2075   12.8383    7.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3340   12.5025    4.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6679   12.9664    5.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2904   14.0553    5.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 14  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 16  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 17  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 19  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 68  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 25 26  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 26 73  1  0  0  0  0
 26 74  1  0  0  0  0
 26 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 743👍, 0💬