KEGG   COMPOUND: C14596Help
Entry
C14596                      Compound                               

Name
Ethamoxytriphetol;
4-Methoxy-alpha-[4-[2-(diethylamino)ethoxy]phenyl]-alpha-phenylbenzeneethanol
Formula
C27H33NO3
Exact mass
419.246
Mol weight
419.5558
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 67-98-1
PubChem: 17395596
ChEBI: 34748
ChEMBL: CHEMBL47647
NIKKAJI: J4.855K
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    19.7798  -16.7401
            2   C8x C    19.7798  -18.1315
            3   C8x C    20.9625  -18.8272
            4   C8x C    22.1453  -18.1315
            5   C8y C    22.1453  -16.7401
            6   C8x C    20.9625  -16.0444
            7   C1d C    23.3975  -16.0444
            8   C8y C    24.5802  -16.7401
            9   C1b C    22.1453  -15.3487
            10  O1a O    24.5802  -15.3487
            11  C8x C    24.5802  -18.1315
            12  C8x C    25.7630  -18.8272
            13  C8y C    27.0152  -18.1315
            14  C8x C    27.0152  -16.7401
            15  C8x C    25.7630  -16.0444
            16  C8y C    22.1281  -13.9300
            17  O2a O    28.2247  -18.8432
            18  C1b C    29.4372  -18.1563
            19  C8x C    23.3260  -13.2189
            20  C8x C    23.3090  -11.8190
            21  C8y C    22.0881  -11.1338
            22  C8x C    20.8903  -11.8449
            23  C8x C    20.8373  -13.2448
            24  O2a O    22.1410   -9.7309
            25  C1a C    20.8339   -9.0364
            26  C1b C    30.6561  -18.8738
            27  N1c N    31.8660  -18.1890
            28  C1b C    33.0652  -18.8952
            29  C1b C    31.8779  -16.8003
            30  C1a C    33.0751  -16.1223
            31  C1a C    34.2624  -18.2176
BOND        33
            1     2   3 1
            2     7   8 1
            3     3   4 2
            4     7   9 1
            5     4   5 1
            6     7  10 1
            7     5   6 2
            8     6   1 1
            9     1   2 2
            10    8  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15   8 1
            16    5   7 1
            17    9  16 1
            18   13  17 1
            19   17  18 1
            20   16  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   16  23 1
            26   21  24 1
            27   24  25 1
            28   18  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1
            32   29  30 1
            33   28  31 1

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