Molecule FYI-1005895

A

Molecule Summary:

ID: FYI-1005895
Names:
InChIKey: RDIVNYCOUBHXRH-UHFFFAOYSA-N
SMILES: C=C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3

Received at FYIcenter.com on: 2023-11-19

Molecule ID: FYI-1005895 Edit

Molecule Structure InChIKey: RDIVNYCOUBHXRH-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005895
FYIcenter.com

 38 40  0     1  0  0  0  0  0999 V2000
    4.4003    0.5736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -1.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9123    3.1707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6489    2.1881    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3901    1.2221    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0478    1.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890    0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6157    1.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1691    0.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400    0.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -0.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -0.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4174   -3.2769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584   -4.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  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 10  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 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005895-3D
FYIcenter.com

 38 40  0     1  0  0  0  0  0999 V2000
   -0.0918   -0.3569   -0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185   -2.6559   -0.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5730    1.6042    0.6734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5628    0.2315    1.2090 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3701    1.3908   -0.7705 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4719   -0.5165    0.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3444    0.2546   -1.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1118   -0.2741    1.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8998    1.0014   -0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5095   -0.2667   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283   -1.6192   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9153   -1.5550   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634   -0.2868    0.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5804   -2.7210   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742    0.3312   -1.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9606    0.2957    1.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825    1.5320   -1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6689    1.4963    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    2.1144    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9567    0.2024    2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6089    2.2937   -1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1975   -1.5703    0.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5136   -0.4785    0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0031   -0.3852   -1.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9107   -1.1180   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8130    2.1550    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0762   -3.6809   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648   -2.7511    0.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8489   -0.1098   -2.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6458   -0.1732    2.1653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022    2.0135   -2.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000    1.9502    2.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6312    3.0493    0.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 31  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 20  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  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 10  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 30  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 464👍, 0💬