Molecule FYI-1009744

A

Molecule Summary:

ID: FYI-1009744
Names:
InChIKey: HKKSCQFESCVJAZ-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2=CCC(OCC(C)C)C=c12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009744 Edit

Molecule Structure InChIKey: HKKSCQFESCVJAZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc1c[nH]c2=CCC(OCC(C)C)C=c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009744
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.2002    6.8361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2635    7.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    9.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8941    7.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676    5.5047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7044    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0738    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009744-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    0.8541   -2.1700    2.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3360   -2.3721    2.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8232   -3.1966    3.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0762   -1.5374    1.4701 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5225   -1.5482    1.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1365   -2.5393    0.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6307   -2.5341    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4416   -2.2913    1.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7712   -2.3449    1.2739 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9114   -2.6451   -0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3638   -3.3600   -2.8223 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2584   -4.7300   -3.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0163   -5.0373   -3.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8052   -6.6064   -4.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
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  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
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 19 44  1  0  0  0  0
M  END
$$$$

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2024-05-22, 1554👍, 0💬