KEGG   COMPOUND: C06492
Entry
C06492                      Compound                               
Name
Compound II(R/S);
5-(7-(6-Chloro-4-(5-hydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole
Formula
C21H27ClN2O3
Exact mass
390.171
Mol weight
390.9037
Structure
Other DBs
PubChem: 8723
ChEBI: 3844
NIKKAJI: J2.762.279H
LinkDB
KCF data

ATOM        27
            1   C8y C    33.4830  -17.6822
            2   C2y C    34.6884  -17.0013
            3   C8x C    33.4830  -19.0864
            4   C8x C    32.2769  -16.9890
            5   O2x O    34.2404  -15.6686
            6   N2x N    36.0869  -16.9779
            7   C8y C    32.2769  -19.7856
            8   C8x C    31.0592  -17.6822
            9   C1x C    35.3628  -14.8298
            10  C1y C    36.5073  -15.6398
            11  C8y C    31.0651  -19.0864
            12  X   Cl   32.2769  -21.1840
            13  C1a C    37.8293  -15.1967
            14  O2a O    29.8647  -19.7856
            15  C1b C    28.6529  -19.0923
            16  C1b C    27.4468  -19.7915
            17  C1b C    26.2407  -19.0923
            18  C1b C    25.0229  -19.7972
            19  C1b C    23.8111  -19.0923
            20  C1b C    22.5933  -19.7972
            21  C1b C    21.3872  -19.0923
            22  C8y C    20.1774  -19.8005
            23  O2x O    19.0391  -18.9719
            24  C8x C    19.7557  -21.1296
            25  N5x N    17.9103  -19.8047
            26  C8y C    18.3559  -21.1394
            27  C1a C    17.5329  -22.2791
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 1
            12   10  13 1
            13   11  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   22  24 2
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27    8  11 2
            28    9  10 1
            29   25  26 2

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