Molecule FYI-1001480

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A

Molecule Summary:

ID: FYI-1001480
SMILES: C1(=CC=CC=C1C(C(CCCC)[N]2CCCC2)=O)C

Received at FYIcenter.com on: 2022-08-15

Molecule ID: FYI-1001480 Edit

Molecule Structure SMILES String: C1(=CC=CC=C1C(C(CCCC)[N]2CCCC2)=O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001480
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6544    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  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  8  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
 17 13  1  0  0  0  0
 18  7  2  0  0  0  0
 19  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001480-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    1.9237    1.4326   -2.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    2.2974   -3.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953    2.3587   -3.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701    1.5404   -2.9481 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1893    0.6945   -1.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8270    0.6507   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934   -0.1288   -0.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1758   -1.4273    0.0192 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3628   -1.1389    0.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2148   -2.3679    1.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850   -3.0545    0.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7694   -4.2154    0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -2.4650    0.6099 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1739   -2.8904   -0.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0747   -2.7145    0.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4413   -2.8869    2.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7914   -2.1982    1.9661 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4359    0.3034    0.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4280    1.4244   -2.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555    2.9395   -3.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1673    3.0435   -4.4017 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7345    1.5723   -3.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9281    0.1002   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5710   -1.8531   -0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9921   -0.6746    1.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0326   -0.3876    0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6083   -3.0994    1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9904   -2.0365    2.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4929   -2.3286   -0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1290   -3.4422   -0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5696   -3.8768    1.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331   -4.6850   -0.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1870   -4.9809    1.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3123   -3.9549   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929   -2.3646   -1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8593   -3.4340    0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4777   -1.7027    0.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5623   -3.9515    2.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2221   -2.4414    2.7721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631   -2.6059    2.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6611   -1.1322    2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    1.5647   -3.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    2.2349   -1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0637    0.4653   -1.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
$$$$

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2022-10-01, 427👍, 0💬