Molecule FYI-1000281

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Molecule Summary:

ID: FYI-1000281
SMILES: COC(=O)OC1CN1[C@H](C(=O)OCc1ccccc1)C(C)C

Received at FYIcenter.com on: 2021-03-03

Molecule ID: FYI-1000281 Edit

Molecule Structure SMILES String: COC(=O)OC1CN1[C@H](C(=O)OCc1ccccc1)C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000281
FYIcenter.com

 22 23  0  0  1  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6120    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000281-3D
FYIcenter.com

 43 44  0  0  1  0  0  0  0  0999 V2000
   12.2405    6.0652   -3.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250    5.8152   -2.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7959    4.5266   -2.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2191    3.6328   -2.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8136    4.3902   -1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621    3.0665   -1.0871 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0992    2.7676   -1.9862 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9114    3.0042   -0.5489 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4339    1.7877    0.1598 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7553    2.2404    1.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9045    1.6928    2.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8800    3.2670    1.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1400    3.7263    2.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782    5.1691    2.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    6.2080    2.1524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225    7.5399    2.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1068    7.8461    3.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8849    6.8211    3.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5753    5.4873    3.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4283    0.5963    0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5785    0.8476    1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7013   -0.6995    0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5866    7.0925   -2.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    5.9532   -4.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0936    5.3931   -2.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9637    2.2606   -0.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0364    1.7607   -2.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7612    3.5481   -2.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908    1.3924   -0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989    3.1248    3.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0749    3.6355    2.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676    5.9863    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197    8.3387    2.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3485    8.8826    3.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7328    7.0570    4.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    4.6958    3.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762    0.3746   -0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2251    1.0193    2.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    1.7043    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2400   -0.0258    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3014   -0.6617    1.7615 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3936   -1.5480    0.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768   -0.9112    0.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9  8  1  0  0  0  0
  9 29  1  6  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
$$$$

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2021-04-17, 753👍, 0💬