Molecule Editor

Molecule ID: FYI-1005311 Edit

Molecule Structure InChIKey: BDXHQPHDGGQYKE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC(C)(O)NC1c2cc(OC)c1cc2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005311
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.8061    2.7841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4822    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    4.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8242    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9952    4.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1663    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3373    4.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5083    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6793    4.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8504    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583    2.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571    4.7123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1401    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6761    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9988    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    3.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    5.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    6.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262    1.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9210    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11  2  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005311-3D
FYIcenter.com

 51 52  0  0  1  0  0  0  0  0999 V2000
    0.9738   -0.1123   -0.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4921   -0.0508   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0380    1.0001   -1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5663    1.0667   -1.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0972    2.1227   -2.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6246    2.1982   -2.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387    3.2546   -3.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6704    3.3321   -3.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2913    4.3896   -3.9725 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9471    4.1019   -5.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7755    5.6548   -3.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7258    4.3540   -3.7151 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5456    5.3044   -4.4712 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.2909    6.8292   -4.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4165    7.2385   -5.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4281    6.3737   -4.9789 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6486    6.1711   -5.5260 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9275    6.8376   -6.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7293    6.1489   -2.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5794    7.0471   -3.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7085    0.7621   -2.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9850    0.0859   -1.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8992    1.3024   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    3.1028   -1.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7596    1.8880   -3.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0812    2.3402   -3.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4084    4.8297   -6.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4838    8.0126   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
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 14 21  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$