Molecule FYI-1005823

A

Molecule Summary:

ID: FYI-1005823
Names:
InChIKey: FCJDSDXWZVNKDL-UHFFFAOYSA-N
SMILES: COCCNC(=O)C3(C)CCCN(C(=O)c2ccc1OCCc1c2)C3

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005823 Edit

Molecule Structure InChIKey: FCJDSDXWZVNKDL-UHFFFAOYSA-N

Molecule Structure SMILES String: COCCNC(=O)C3(C)CCCN(C(=O)c2ccc1OCCc1c2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005823
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.9157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4157    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  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  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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 14  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 19  1  0  0  0  0
 25 13  1  0  0  0  0
 25  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005823-3D
FYIcenter.com

 51 53  0     1  0  0  0  0  0999 V2000
    1.8973   -0.4029    1.5847 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7124   -2.0925    1.8473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5003    1.1402   -0.4898 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    2.9620   -0.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1454   -1.7884   -0.3067 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8341    0.2717    0.4833 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6230   -1.6350   -0.3386 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5253   -1.0152   -1.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3919   -2.5087   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1745   -0.3368   -1.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197   -1.2782   -1.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019   -2.4721   -0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -0.5370    0.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8166   -1.6652    0.6985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0612   -0.9534    0.3826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1507    1.4082    1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1382    0.4278    0.5809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3266    1.0652    0.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -1.6666   -0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6667    2.5037    0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4079    0.3543   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505   -1.0086   -0.4399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    2.6791    0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    2.3987    0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4255    4.1497   -1.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6430   -1.8149   -2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3245   -0.2967   -1.9588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3851   -3.3984   -0.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4086   -2.8690    1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0981    0.5654   -1.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -0.0156   -3.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1433   -2.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9272   -0.7580   -1.8333 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8247   -3.3822   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819   -2.7833    0.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7965   -1.9437   -0.5674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688    0.0922   -0.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    1.2065    2.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2414    1.5050    1.3111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2887    0.9896    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897   -2.7403   -0.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2072    3.0317   -0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3983    2.9905    1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1986   -1.5551   -0.8367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5756    3.2223   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6946    2.4176    1.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    2.5620    0.7568 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    3.5114    1.4692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398    4.0446   -1.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717    5.0091   -0.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8415    4.3182   -2.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4 23  1  0  0  0  0
  4 25  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 23  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 19 41  1  0  0  0  0
 20 24  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 22 44  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 819👍, 0💬