Molecule FYI-1002023

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A

Molecule Summary:

ID: FYI-1002023
Names:
InChIKey: FSKZJSCMTMYMPQ-UHFFFAOYSA-N
SMILES: O=C(O)c2ccc(CNC(=O)OCc1ccccc1)cn2

Received at FYIcenter.com on: 2023-01-18

Molecule ID: FYI-1002023 Edit

Molecule Structure InChIKey: FSKZJSCMTMYMPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c2ccc(CNC(=O)OCc1ccccc1)cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002023
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 15 16  1  0  0  0  0
 12 14  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002023-3D
FYIcenter.com

 35 36  0     0  0  0  0  0  0999 V2000
    2.0451   -0.7479    0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008   -1.7342   -1.4337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8496    1.3143   -1.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9103    2.2522    0.5536 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1050   -1.5710    0.8269 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9389   -0.2891   -0.9318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872   -2.2165    0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3008   -1.2365    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1693    0.2122   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9602   -0.4871   -1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7314   -0.3885    1.5872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9318   -1.1483   -0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7649    0.5091    1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2012    1.6054   -0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611   -0.5310   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8877   -1.3854   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3303    0.5194    0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254    2.2553    0.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3852    0.1188    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4172    1.5120    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4131    1.4368   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1867   -2.9935    0.0311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3253   -2.7195    1.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4735    0.1379   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2527   -1.4317   -1.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -1.2224    1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2687   -0.4191    2.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6403   -1.7817   -1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1031    1.1721    2.1328 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3559    2.1953   -0.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473   -1.6169   -0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502    3.3400    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2352   -0.4598    0.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2923    2.0179    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5802    1.9383   -1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2 16  2  0  0  0  0
  3 21  1  0  0  0  0
  3 35  1  0  0  0  0
  4 21  2  0  0  0  0
  5  7  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 18  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  2  0  0  0  0
 15 31  1  0  0  0  0
 17 21  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$

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2023-01-18, 2090👍, 0💬