Molecule FYI-1004451

A

Molecule Summary:

ID: FYI-1004451
Names:
InChIKey: BVJCGZJVPHFAFU-FNORWQNLSA-N
SMILES: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OCCN)c1

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004451 Edit

Molecule Structure InChIKey: BVJCGZJVPHFAFU-FNORWQNLSA-N

Molecule Structure SMILES String: CC(C)/C=C/CCCCC(=O)NCc1ccc(O)c(OCCN)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004451
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9741    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 24 19  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004451-3D
FYIcenter.com

 54 54  0  0  0  0  0  0  0  0999 V2000
    9.5628    3.2297    0.5235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1006    3.2600   -0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470    4.5056   -1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5317    2.0065   -1.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6722    1.1443   -2.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0977   -0.0869   -2.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5336   -1.3604   -2.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9837   -2.5916   -3.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4580   -3.8906   -2.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9064   -5.0861   -3.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0903   -5.8445   -3.8519 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8340   -6.3615   -4.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7100   -5.8843   -5.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9070   -5.2680   -6.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1278   -4.7369   -6.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 54  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2670👍, 0💬