
 CHEMBL542148

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.2880    0.1312   -0.6724 C   0  0  0  0  0
    1.8021   -0.0363   -0.7435 C   0  0  0  0  0
    2.1618   -1.2376   -1.5999 C   0  0  0  0  0
    1.9091   -2.4035   -1.3279 O   0  0  0  0  0
    2.8626   -0.8015   -2.8178 C   0  0  0  0  0
    2.9201    0.5150   -2.6275 C   0  0  0  0  0
    2.3698    1.0641   -1.4928 O   0  0  0  0  0
    3.3890   -1.5909   -3.9258 C   0  0  0  0  0
    3.4730   -1.0438   -5.2168 C   0  0  0  0  0
    3.9803   -1.7913   -6.2833 C   0  0  0  0  0
    4.4112   -3.0981   -6.0747 C   0  0  0  0  0
    4.3289   -3.6586   -4.8027 C   0  0  0  0  0
    3.8178   -2.9113   -3.7370 C   0  0  0  0  0
    2.4759   -0.1817    0.6425 C   0  0  0  0  0
    2.1996    0.8869    1.6370 N   0  0  0  0  0
    2.7069    0.4835    2.9524 C   0  0  0  0  0
    2.8051    2.1642    1.2503 C   0  0  0  0  0
   -0.1493    0.1687   -1.6774 H   0  0  0  0  0
    0.0157    1.0715   -0.1818 H   0  0  0  0  0
   -0.1831   -0.6975   -0.1340 H   0  0  0  0  0
    3.3752    1.2523   -3.2716 H   0  0  0  0  0
    3.1326   -0.0299   -5.4159 H   0  0  0  0  0
    4.0342   -1.3529   -7.2767 H   0  0  0  0  0
    4.8056   -3.6810   -6.9027 H   0  0  0  0  0
    4.6603   -4.6806   -4.6360 H   0  0  0  0  0
    3.7658   -3.3788   -2.7554 H   0  0  0  0  0
    3.5625   -0.2818    0.5111 H   0  0  0  0  0
    2.1285   -1.1327    1.0703 H   0  0  0  0  0
    2.2096   -0.4315    3.2926 H   0  0  0  0  0
    2.4878    1.2515    3.7030 H   0  0  0  0  0
    3.7888    0.3088    2.9426 H   0  0  0  0  0
    2.2967    2.5957    0.3839 H   0  0  0  0  0
    3.8731    2.0651    1.0245 H   0  0  0  0  0
    2.6962    2.9046    2.0514 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 25  1  0  0  0
 13 26  1  0  0  0
 14 15  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 16 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL542148

>  <PubChem CID>
44309866

>  <Formula>
C14H17NO2

>  <Molecular Weight>
231.295000

>  <IUPAC Name>
2-[(dimethylamino)methyl]-2-methyl-4-phenylfuran-3-one

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(C(=O)C(=CO1)C2=CC=CC=C2)CN(C)C

>  <Isomeric SMILES>
CC1(C(=O)C(=CO1)C2=CC=CC=C2)CN(C)C

>  <InChI Std. ID>
InChI=1S/C14H17NO2/c1-14(10-15(2)3)13(16)12(9-17-14)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3

>  <InChI Key>
ACTYDYCRMLMETO-UHFFFAOYSA-N

