Molecule Editor

Molecule ID: FYI-1015823 Edit

Molecule Structure InChIKey: HKMPOBQECAEMDK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOP(=O)(OCC)C(Nc2ccc1[nH]c(=O)oc1c2)c3ccccc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015823
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
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    9.6996    4.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0622    2.7282    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
    4.8498    0.6282    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
    3.6374    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.4282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.0282    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
    8.4871    2.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7782    1.3588    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 28  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
  8  7  1  0  0  0  0
  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 17  2  0  0  0  0
 25  6  1  0  0  0  0
 26 25  2  0  0  0  0
 26  3  1  0  0  0  0
 27 26  1  0  0  0  0
 28  2  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015823-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    2.0164    0.9720   -1.2921 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153    1.5483    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    0.9007    0.9919 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6247    0.9007    0.9919 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849    2.4106    1.2667 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898    0.0174    2.4106 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7747    0.4175    3.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1115   -0.4049    4.7331 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547    0.9007    0.9919 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1029    0.9850    2.3438 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9481    2.0605    3.2207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    3.3949    2.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5319    4.4347    3.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6186    4.1118    5.0557 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4708    4.8722    6.1787 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    4.0613    7.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6552    4.4251    8.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9832    2.7473    6.8687 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9186    2.8424    5.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1119    1.8114    4.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1275   -0.3123    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7570   -1.5886    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4280   -2.7647    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4902   -2.7053   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8465   -1.4675   -0.9808 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1853   -0.2667   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    0.7786   -1.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1596    1.9899   -1.5545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0488    1.1448   -1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290   -0.0999   -1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7809    1.4687   -1.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194    1.3570    0.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1537    2.6345    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7229    0.2398    3.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9153    1.4868    3.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0036   -1.4792    4.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1382   -0.2511    5.0577 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9223    0.1142    2.8425 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3555    0.8194    4.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -1.6956    1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1456   -3.7152    0.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0569   -3.5929   -0.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892   -1.4303   -1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    2.5001   -2.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1499    2.6463   -0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1617    1.8371   -1.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  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 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 19  2  0  0  0  0
 15 16  1  0  0  0  0
 15 43  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 44  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
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 23 24  1  0  0  0  0
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 25 48  1  0  0  0  0
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 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$