Molecule FYI-1005553

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A

Molecule Summary:

ID: FYI-1005553
Names:
InChIKey: XSWNGXNDDAYDLT-UHFFFAOYSA-N
SMILES: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2N

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005553 Edit

Molecule Structure InChIKey: XSWNGXNDDAYDLT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1005553
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    7.2745    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    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  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 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005553-3D
FYIcenter.com

 39 40  0  0  0  0  0  0  0  0999 V2000
    7.2701   -3.0611    1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4852   -1.8327    1.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890   -0.9756    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4961    0.2578   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    1.1166   -1.0754 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5182    2.3728   -1.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3765    2.5897   -1.1154 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2273    3.3749   -2.3245 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2539    2.8764   -3.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9600    3.6974   -4.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796    3.2174   -4.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3533    1.7678   -5.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.1189   -5.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2580    5.5588   -5.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8177    6.3299   -6.5052 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3134    5.9770   -4.8193 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6456    5.0522   -3.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6572    5.5804   -3.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8888    4.7443   -2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0396    5.3727   -1.4126 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830   -3.6621    2.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040   -2.7750    2.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5163   -3.6876    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -1.2433    2.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5463   -2.1498    0.8291 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5453   -1.5714   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2319   -0.6661    0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    0.8557    0.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5585   -0.0541   -0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5388    0.5010   -1.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2279    1.4458   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    1.8226   -3.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8441    1.1066   -4.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4275    1.6360   -4.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1132    1.4032   -6.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3062    3.8305   -6.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4944    6.6540   -3.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6512    6.2589   -1.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3449    4.7810   -0.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

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2023-11-09, 648👍, 0💬