Molecule FYI-1013870

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A

Molecule Summary:

ID: FYI-1013870
Names:
InChIKey: ZVMPULPPFAGFCX-UHFFFAOYSA-N
SMILES: COc3ccc(C1CC(N)CC1c2ccc(OC)cc2)cc3

Received at FYIcenter.com on: 2025-02-08

Molecule ID: FYI-1013870 Edit

Molecule Structure InChIKey: ZVMPULPPFAGFCX-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(C1CC(N)CC1c2ccc(OC)cc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013870
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    9.3275    7.9031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1151    7.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8362    7.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    6.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070    6.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9377    8.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5452    8.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224    7.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2918    5.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6841    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5993    5.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    4.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6377    4.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    2.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834    1.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8529    3.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9688    5.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    0.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301    7.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6945    0.0000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
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 17 12  1  0  0  0  0
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 18  2  1  0  0  0  0
 15 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013870-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    1.7241   -1.1964   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -0.0715   -0.1024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533   -0.3298    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695   -1.5905    1.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9943   -1.7346    2.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.6252    3.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184   -0.7463    4.7741 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0154   -2.0354    5.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9503   -2.2381    6.5932 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2515   -2.4740    7.2027 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2351   -1.0086    7.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3253   -0.5135    6.0180 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9439   -1.1564    6.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -0.3393    6.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5327   -0.8866    6.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -2.2665    6.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8302   -2.9349    6.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9726   -2.1446    6.7942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4529   -3.0845    6.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7295   -2.5375    5.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3129    0.6423    2.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920    0.7856    1.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1955   -0.8463   -1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8863   -1.7019    6.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709   -3.3080    6.7940 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9629   -0.2233    7.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -1.2406    8.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1860    0.5706    6.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9245    0.7426    6.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983   -0.2046    6.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8099   -2.8240    6.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -1.5107    5.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3245   -4.1631    6.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4394    1.7754    1.2539 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  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
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 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

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