KEGG   COMPOUND: C11494
Entry
C11494                      Compound                               

Name
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate
Formula
C16H20N2O3
Exact mass
288.1474
Mol weight
288.3416
Structure
Other DBs
PubChem: 13664
ChEBI: 6849
ChEMBL: CHEMBL3186163
NIKKAJI: J634.688J
KCF data

ATOM        21
            1   C2y C    28.2844  -19.8579
            2   N1x N    27.9203  -21.2051
            3   C5x C    29.0894  -21.9726
            4   C1z C    30.1786  -21.0951
            5   N2x N    29.6084  -19.8599
            6   C8x C    24.6542  -17.7566
            7   C8y C    24.6542  -19.1596
            8   C8x C    25.8660  -19.8576
            9   C8y C    27.0778  -19.1596
            10  C8y C    27.0778  -17.7566
            11  C8x C    25.8660  -17.0516
            12  C7a C    28.2849  -17.0587
            13  O7a O    29.4976  -17.7638
            14  O6a O    28.2780  -15.6557
            15  C1a C    30.7102  -17.0516
            16  C1c C    31.3799  -21.7963
            17  C1a C    32.5925  -21.0912
            18  C1a C    31.3728  -23.1993
            19  C1a C    31.1613  -20.0202
            20  O5x O    29.1517  -23.3754
            21  C1a C    23.4347  -19.8505
BOND        22
            1     3  20 2
            2     9  10 1
            3     7  21 1
            4    10  11 2
            5    11   6 1
            6    10  12 1
            7     1   2 1
            8    12  13 1
            9     2   3 1
            10   12  14 2
            11    3   4 1
            12   13  15 1
            13    9   1 1
            14    4   5 1
            15    4  16 1
            16    5   1 2
            17   16  17 1
            18    6   7 2
            19   16  18 1
            20    7   8 1
            21    4  19 1
            22    8   9 2

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