Molecule FYI-1014141

A

Molecule Summary:

ID: FYI-1014141
Names:
InChIKey: BLYXGJVQOTZBTH-UHFFFAOYSA-N
SMILES: CC1C(O)CCC4C1C5CCC3(c2ccc(N)cc2)C(O)CCC3C45

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

Molecule ID: FYI-1014141 Edit

Molecule Structure InChIKey: BLYXGJVQOTZBTH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1C(O)CCC4C1C5CCC3(c2ccc(N)cc2)C(O)CCC3C45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014141
FYIcenter.com

 25 29  0  0  0  0  0  0  0  0999 V2000
   10.2500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033    1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8213    1.9664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6745    3.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8099    4.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0920    3.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2387    2.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5207    1.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    3.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    1.8197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2902    0.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5632    5.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2154    0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461    0.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014141-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
    1.3067   -0.1802   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1917   -1.8865   -0.0991 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6189   -1.9788   -0.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5799   -2.7891    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7545   -2.2365    2.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1535   -0.8409    2.4516 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0284   -0.0030    1.4590 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4626    1.2368    2.1387 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2798    2.4527    2.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    3.1017    3.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4734    3.9805    1.9927 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8082    3.0089    5.5946 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9207    3.5074    6.3501 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4 31  1  0  0  0  0
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  5 33  1  0  0  0  0
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  6 34  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2025-03-12, 933👍, 0💬