Molecule FYI-1006055

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A

Molecule Summary:

ID: FYI-1006055
Names:
InChIKey: UVHGSMZRSVGWDJ-RUDMXATFSA-N
SMILES: CC=C(C)C(=O)OC1CC2CCC(C1)N2C

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006055 Edit

Molecule Structure InChIKey: UVHGSMZRSVGWDJ-RUDMXATFSA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CCC(C1)N2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006055
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
    4.2267   -0.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -2.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    2.2206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4752    1.2380    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2164    0.2720    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8742    0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6154   -0.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4420    0.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9954   -0.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664   -0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2386    3.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0530   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -1.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3473   -1.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -2.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9816    1.9207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299   -0.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4682    0.5514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0691    1.3177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4204   -0.8253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2093   -0.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    1.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    1.0106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896   -1.0623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4121   -1.0528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0908   -0.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    3.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9286    3.6235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7017    2.7766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7458   -0.5855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724   -0.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488   -1.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4146   -3.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -2.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -3.2422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120   -3.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  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 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006055-3D
FYIcenter.com

 37 38  0     1  0  0  0  0  0999 V2000
    0.9553    0.5245    0.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6867   -1.5802   -0.2348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9456    0.6194   -0.7114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3905   -0.7372   -0.8780 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7801    0.8627    0.7342 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9288   -1.5219    0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1877   -0.4592    1.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -0.5869   -0.8262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2869    1.1777    0.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3718    0.0340    0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3366    0.7189   -1.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8954   -0.3938   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.2661   -0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841    1.7039   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2951   -0.5135    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7367   -0.1146    0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727   -1.1977   -1.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3788    1.7064    1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -2.2922    0.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8716   -2.0204    0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2539   -0.4510    1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6307   -0.6629    2.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -1.5840   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    0.0226   -1.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0222    2.0999    0.4166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0946    1.3884    2.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3630   -0.7327    1.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4084    0.5191   -2.2211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7055    1.7389   -0.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0144    0.0323   -0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2611    1.9944   -0.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5593    1.8923   -1.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448    2.3588    0.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1340   -1.5527    0.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018   -0.4002    1.0766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8912    0.9590    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601   -0.6377   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  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 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1578👍, 0💬