Molecule FYI-1004176

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A

Molecule Summary:

ID: FYI-1004176
Names:
InChIKey: LATVFYDIBMDBSY-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(CC(C)N)c1

Received at FYIcenter.com on: 2023-08-20

Molecule ID: FYI-1004176 Edit

Molecule Structure InChIKey: LATVFYDIBMDBSY-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc(OC)c(CC(C)N)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004176
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    1.2125    4.9000    0.0000 C   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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    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
    1.2125    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   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  2  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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  1  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004176-3D
FYIcenter.com

 31 31  0     1  0  0  0  0  0999 V2000
   -1.2347   -2.2208   -0.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    1.1195    0.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034    2.1634   -0.3780 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    0.5493   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    1.6376    0.1251 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2785   -0.0302   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1630   -1.3849   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3543    1.1131    1.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8142    0.8180   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    0.2985    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -1.9042    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1828   -1.0624    0.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0113   -3.5971    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9294    2.5003   -0.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4920    0.9694   -1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3712   -0.2354   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235    2.4732    0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143    0.7891    2.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    0.2627    1.5522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7730    1.8933    2.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6641    1.8640   -0.5648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2640    2.5687   -1.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7233    2.9222    0.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2524   -2.9492    0.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453   -1.4716    0.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7098   -3.7394    1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087   -4.0553   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9688   -4.1133   -0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351    2.6488   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8919    3.0047   -0.0069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260    2.9632    0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 2464👍, 0💬