Molecule FYI-1015821

A

Molecule Summary:

ID: FYI-1015821
Names:
InChIKey: XVJJWWPHIKKTGB-UHFFFAOYSA-N
SMILES: CCOP(=O)(OCC)C(Nc2ccc1[nH]c(=O)oc1c2)c3ccccc3

Received at FYIcenter.com on: 2025-10-15

Molecule ID: FYI-1015821 Edit

Molecule Structure InChIKey: XVJJWWPHIKKTGB-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(=O)(OCC)C(Nc2ccc1[nH]c(=O)oc1c2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015821
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.8705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    2.4915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.5282    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.1282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7782    1.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 15  2  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 24  3  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015821-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    0.9326    0.9913    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    1.1371    1.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0453   -0.1077    1.2735 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753   -0.1077    1.2735 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.7919    0.2844    2.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256   -1.7717    1.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5639   -2.5287    2.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -4.0069    2.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6053   -0.1077    1.2735 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2916   -1.2260    1.9363 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9010   -1.2046    3.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8189   -0.1108    4.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5173   -0.0836    5.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2849   -1.1803    5.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0969   -1.4465    6.6325 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6540   -2.6872    6.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4438   -3.2273    7.1908 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2035   -3.2588    5.2307 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -2.2719    4.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6846   -2.3130    3.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2144   -0.0042   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1324    1.0198   -0.4219 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    1.1130   -1.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4058    0.1781   -2.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5134   -0.8547   -2.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9207   -0.9483   -1.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7777    1.9017    0.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026   -2.2948    2.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499   -2.2855    3.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545   -4.3294    1.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5101   -4.2219    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7705   -3.1807    2.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2897   -1.5977   -3.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   -1.7819   -0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
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 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
M  END
$$$$

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2025-10-24, 334👍, 0💬