Molecule FYI-1005845

A

Molecule Summary:

ID: FYI-1005845
Names:
InChIKey: SVABALODFOURDS-UHFFFAOYSA-N
SMILES: CCNC(=O)C2(C)CCN(C(=O)c1ccc(OC)cc1OC)C2

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005845 Edit

Molecule Structure InChIKey: SVABALODFOURDS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCNC(=O)C2(C)CCN(C(=O)c1ccc(OC)cc1OC)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005845
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.8967    8.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    8.7718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    9.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594   10.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    8.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212    8.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    9.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    8.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    7.0885    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    5.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4304    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 10  1  0  0  0  0
 23  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005845-3D
FYIcenter.com

 47 48  0     1  0  0  0  0  0999 V2000
    4.1254   -0.2113    0.7748 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805    1.8610    2.3264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2918    2.3293   -0.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5384   -1.8674   -0.6879 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.3073    0.5160 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1719   -1.6553   -0.7824 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    0.6914   -0.9018 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9900    2.0274   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    0.5555   -0.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0238    2.0682    0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741    0.6800   -2.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4027   -0.4230   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039    1.2753    1.2601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    0.4660    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728   -2.8814   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3690    1.0219   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
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  6 12  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 26  1  0  0  0  0
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 15 18  1  0  0  0  0
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 15 35  1  0  0  0  0
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 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1896👍, 0💬