Molecule FYI-1001441

Home > Molecule

A

Molecule Summary:

ID: FYI-1001441
SMILES: C(=O)(C3CN(C(=O)C1=C(C=CC=C1)CC2CO2)C4=C3C=CC=C4)O

Received at FYIcenter.com on: 2022-07-26

Molecule ID: FYI-1001441 Edit

Molecule Structure SMILES String: C(=O)(C3CN(C(=O)C1=C(C=CC=C1)CC2CO2)C4=C3C=CC=C4)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001441
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.8579    3.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4273    5.0097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    3.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5287    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.6553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8919    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6808    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  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 16  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19 18  2  0  0  0  0
 19  3  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001441-3D
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
    0.0236    2.1001   -2.6995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0858    2.5071   -3.8567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904    2.2291   -1.7470 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1129    3.5797   -1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0669    3.3555    0.4273 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585    4.3315    1.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7670    4.0501    2.6307 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    5.7975    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3598    6.8581    1.6831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4108    8.1414    1.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709    8.3919   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    7.3975   -0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9918    6.1469    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    6.7956    3.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8210    6.6566    2.9646 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7739    7.6891    2.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5025    7.6164    3.8015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573    1.9520    0.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2704    1.2816   -0.5969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5057   -0.0875   -0.6747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5863   -0.8092    0.5119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156   -0.1604    1.7422 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.2268    1.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128    1.5984   -2.1856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1126    2.1470   -2.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2685    4.2107   -1.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399    4.0855   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1198    8.9796    1.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1764    9.3787   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    7.5900   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600    5.4441   -0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    7.7174    3.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0855    6.0083    3.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1465    5.6281    3.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7580    7.3665    2.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3934    8.5404    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -0.5822   -1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7990   -1.8766    0.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4770   -0.7400    2.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990    1.7023    2.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0631    1.3434   -1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 2420👍, 0💬