Molecule FYI-1006655

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A

Molecule Summary:

ID: FYI-1006655
Names:
InChIKey: SNMFNOQKGANWHD-UHFFFAOYSA-N
SMILES: COc1cc(CCNC(C)=O)cc(OC)c1OC

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006655 Edit

Molecule Structure InChIKey: SNMFNOQKGANWHD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1cc(CCNC(C)=O)cc(OC)c1OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006655
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  2  0  0  0  0
 17  6  1  0  0  0  0
 18  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006655-3D
FYIcenter.com

 37 37  0     0  0  0  0  0  0999 V2000
    2.9859   -1.8572    0.3235 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    2.4683   -0.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2396    0.9010    0.2929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8650   -0.0101   -0.5761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -0.4837    0.6927 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603   -1.5129   -1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3656   -0.8752   -0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -1.7224    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2417    0.5140   -0.7712 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7216   -1.6680   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9327   -1.0714   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9695    1.1105   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566    0.3177   -0.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0740    0.2715    0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2369    1.5073    1.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096   -2.1825    1.7067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    3.1610    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    1.1321   -0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4679   -2.4824   -1.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1581   -0.9042   -1.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5173   -2.2284   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1373   -2.3515    0.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0841    1.1385   -1.0594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6301   -2.7514   -0.3701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837   -0.1544    1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9736    2.1723    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5793    1.2238    2.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2850    2.0407    1.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -2.7465    2.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2291   -1.2751    2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992   -2.8055    1.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4119    2.8482    1.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2933    2.9838    1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8918    4.2316    0.5921 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7575    1.8084   -1.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    0.1879   -1.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0662    1.5999   -0.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 12  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
$$$$

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2024-01-15, 283👍, 0💬