
 BDBM50052395

 41 41  0  0  0  0  0  0  0  0999 V2000
    0.5043    0.7918   -1.3223 C   0  0  0  0  0
    2.0092    0.7618   -1.0181 C   0  0  0  0  0
    2.6634    2.0997   -1.3896 C   0  0  0  0  0
    2.9656    2.1376   -2.8677 C   0  0  0  0  0
    3.2268    1.0843   -3.5822 N   0  0  0  0  0
    3.2421   -0.1524   -2.9694 C   0  0  0  0  0
    2.6781   -0.3752   -1.7618 C   0  0  0  0  0
    2.6677   -1.6757   -1.0392 C   0  0  0  0  0
    1.8010   -1.9721   -0.2323 O   0  0  0  0  0
    3.7646   -2.4208   -1.3146 O   0  0  0  0  0
    3.8756   -3.6513   -0.5814 C   0  0  0  0  0
    2.9596   -4.7356   -1.1439 C   0  0  0  0  0
    3.1815   -5.9526   -0.4323 O   0  0  0  0  0
    2.2824   -6.9723   -0.8486 C   0  0  0  0  0
    3.8806   -1.2224   -3.8195 C   0  0  0  0  0
    2.9937    3.4857   -3.5409 C   0  0  0  0  0
    3.8671    2.3531   -0.5096 C   0  0  0  0  0
    3.7821    2.8514    0.6070 O   0  0  0  0  0
    5.0222    1.9138   -1.0719 O   0  0  0  0  0
    6.1806    2.0425   -0.2459 C   0  0  0  0  0
    0.0137    1.5937   -0.7598 H   0  0  0  0  0
    0.0203   -0.1492   -1.0399 H   0  0  0  0  0
    0.3074    0.9601   -2.3870 H   0  0  0  0  0
    2.1247    0.6062    0.0636 H   0  0  0  0  0
    1.9709    2.9267   -1.1824 H   0  0  0  0  0
    3.6920   -3.4870    0.4880 H   0  0  0  0  0
    4.9191   -3.9788   -0.6562 H   0  0  0  0  0
    3.1719   -4.8848   -2.2092 H   0  0  0  0  0
    1.9096   -4.4365   -1.0540 H   0  0  0  0  0
    2.4987   -7.8776   -0.2749 H   0  0  0  0  0
    2.4166   -7.1907   -1.9124 H   0  0  0  0  0
    1.2476   -6.6748   -0.6521 H   0  0  0  0  0
    3.9045   -0.9210   -4.8736 H   0  0  0  0  0
    3.3233   -2.1637   -3.7813 H   0  0  0  0  0
    4.9154   -1.3933   -3.5036 H   0  0  0  0  0
    2.0352    3.9892   -3.3843 H   0  0  0  0  0
    3.1657    3.3787   -4.6155 H   0  0  0  0  0
    3.7933    4.0918   -3.1073 H   0  0  0  0  0
    6.9925    1.4795   -0.7146 H   0  0  0  0  0
    6.0049    1.6238    0.7499 H   0  0  0  0  0
    6.4752    3.0934   -0.1796 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 15  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
M  END

>  <Chemical Name>
BDBM50052395

>  <PubChem CID>
53640099

>  <Formula>
C14H21NO5

>  <Molecular Weight>
283.324000

>  <IUPAC Name>
5-O-(2-methoxyethyl) 3-O-methyl 2,4,6-trimethyl-3,4-dihydropyridine-3,5-dicarboxylate

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1C(C(=NC(=C1C(=O)OCCOC)C)C)C(=O)OC

>  <Isomeric SMILES>
CC1C(C(=NC(=C1C(=O)OCCOC)C)C)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C14H21NO5/c1-8-11(13(16)19-5)9(2)15-10(3)12(8)14(17)20-7-6-18-4/h8,11H,6-7H2,1-5H3

>  <InChI Key>
AFLMZANIYHHSAR-UHFFFAOYSA-N

