Molecule FYI-1014145

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A

Molecule Summary:

ID: FYI-1014145
Names:
InChIKey: MTSXXDLUHAJTCJ-UHFFFAOYSA-N
SMILES: CCCN2CCC(OC(=O)c1ccccc1)CC2

Received at FYIcenter.com on: 2025-03-05

Molecule ID: FYI-1014145 Edit

Molecule Structure InChIKey: MTSXXDLUHAJTCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN2CCC(OC(=O)c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014145
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   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
    3.6374    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    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
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    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
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 10 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014145-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
    0.7500    0.2234   -0.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4461   -1.9459   -0.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3574   -0.0602    0.3357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5908   -0.2168   -0.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774    0.9914   -0.8774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0700   -0.9389    0.6634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.6011   -0.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5594   -1.2704    0.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7833   -0.3849    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6142    0.8891    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1033    0.5803    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712   -0.7485   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250   -0.1611   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250   -0.9123   -0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1412    1.1170    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971   -0.3609   -0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4134    1.6684    0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5412    0.9294    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -0.8943   -1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    1.4487   -1.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3095    1.7632   -0.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758   -0.3124    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5475   -1.8788    0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4868    1.5418   -1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1470   -0.0433   -1.7815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7278   -2.0158   -0.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613   -1.7272    1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0165   -1.0742   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0649   -0.8871    1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3935    1.5754    1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4200    1.4215   -0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3638   -0.0698   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4074    0.0822    1.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6826    1.5045    0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255   -1.9165   -0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2802    1.7076    0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2754   -0.9359   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261    2.6720    1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5318    1.3585    0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
M  END
$$$$

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2025-03-12, 625👍, 0💬