Molecule FYI-1006071

A

Molecule Summary:

ID: FYI-1006071
Names:
InChIKey: JZEPGIHACXZLFL-ABEMTERESA-N
SMILES: CC=C(C)C(=O)OC1CC2CC(C(C1)N2C)OC(=O)C

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006071 Edit

Molecule Structure InChIKey: JZEPGIHACXZLFL-ABEMTERESA-N

Molecule Structure SMILES String: CC=C(C)C(=O)OC1CC2CC(C(C1)N2C)OC(=O)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006071
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
    4.1678   -1.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0565   -0.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -0.7957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6489    0.6923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5445    1.6617    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0667   -0.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8079    0.6791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6678   -0.7957    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4090    0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2878   -1.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8412    0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1168   -0.5933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0445    2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1678   -1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8225   -0.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6678   -2.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7622   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9359   -1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5283    0.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4680   -0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867   -1.1079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    1.5001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0663   -1.2707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8150   -0.0075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    0.7588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936   -1.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8711   -1.6116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4555    0.4517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1924   -1.2087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5076    2.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    3.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5815    2.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2047   -2.8377    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578   -3.0646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1309   -2.2177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5465   -1.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0435   -2.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3253   -1.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4206    0.6188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6800    0.2488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0506   -0.5459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2559   -0.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  1 14  1  0  0  0  0
 12  2  1  6  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  1  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  6  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006071-3D
FYIcenter.com

 43 44  0     1  0  0  0  0  0999 V2000
   -2.4403    1.4165    0.4428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2976   -0.9507    0.1711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1951    2.8700   -0.8508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8656   -1.2308   -1.4920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -1.6653   -0.2676 N   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7491   -0.5147   -0.8693 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6995   -1.8942    0.9767 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4349    0.4185    0.3086 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4512   -0.4900    1.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4644   -1.1003   -1.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3973   -2.6161    0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -1.8602   -0.4925 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8726   -1.4209   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1901    2.6012   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4941   -0.7258   -0.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3275    3.5504    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2945    0.2454    0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    0.2437    1.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1377    1.0306   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0407    2.0928    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459   -0.0319   -1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -2.5261    1.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4489    0.8884    0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2561   -0.2026    2.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5105   -0.4355    2.0978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -1.7950   -2.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1027   -0.2906   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -2.7945    1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -3.5997    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160   -2.6090   -1.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0785   -0.5863    0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3407   -2.3170    0.3856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3802   -1.2212   -0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2498    3.1265   -0.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329    3.7522    1.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1219    4.4933   -0.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121    0.7812    2.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0475   -0.7832    2.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669    0.7013    2.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870    0.9296   -1.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8748    3.0265   -0.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0854    1.7985    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    2.3039    1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 15  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 2119👍, 0💬