
 CHEMBL423722

 49 51  0  0  0  0  0  0  0  0999 V2000
    3.2191    5.1399   -5.2542 C   0  0  0  0  0
    2.2782    4.2314   -4.6069 N   0  0  0  0  0
    2.1597    2.9780   -5.3474 C   0  0  0  0  0
    2.5781    4.0226   -3.1777 C   0  0  0  0  0
    3.9316    3.4773   -2.8597 C   0  0  0  0  0
    5.0366    4.0067   -2.2241 C   0  0  0  0  0
    6.0410    3.0096   -2.2666 C   0  0  0  0  0
    5.4880    1.9294   -2.9203 C   0  0  0  0  0
    4.1923    2.1959   -3.2474 O   0  0  0  0  0
    6.0234    0.6181   -3.3604 C   0  0  0  0  0
    6.0548    0.6289   -4.7950 O   0  0  0  0  0
    7.1600    1.2086   -5.3499 C   0  0  0  0  0
    8.1479    1.5631   -4.7147 O   0  0  0  0  0
    6.9850    1.3229   -6.8668 C   0  0  0  0  0
    7.4491    2.6877   -7.3774 C   0  0  0  0  0
    8.7810    2.9373   -7.7440 C   0  0  0  0  0
    9.1777    4.2054   -8.1741 C   0  0  0  0  0
    8.2537    5.2455   -8.2319 C   0  0  0  0  0
    6.9308    5.0194   -7.8607 C   0  0  0  0  0
    6.5308    3.7508   -7.4358 C   0  0  0  0  0
    7.5664    0.1356   -7.6343 C   0  0  0  0  0
    6.9727   -0.2545   -8.8475 C   0  0  0  0  0
    7.4953   -1.3144   -9.5907 C   0  0  0  0  0
    8.6225   -1.9951   -9.1376 C   0  0  0  0  0
    9.2291   -1.6157   -7.9430 C   0  0  0  0  0
    8.7078   -0.5569   -7.1967 C   0  0  0  0  0
    3.2525    6.1017   -4.7310 H   0  0  0  0  0
    2.8983    5.3531   -6.2804 H   0  0  0  0  0
    4.2356    4.7349   -5.2992 H   0  0  0  0  0
    1.7357    3.1681   -6.3401 H   0  0  0  0  0
    1.4724    2.2885   -4.8444 H   0  0  0  0  0
    3.1197    2.4715   -5.4915 H   0  0  0  0  0
    1.8169    3.3658   -2.7379 H   0  0  0  0  0
    2.4572    4.9839   -2.6613 H   0  0  0  0  0
    5.1148    5.0004   -1.8055 H   0  0  0  0  0
    7.0562    3.0790   -1.8998 H   0  0  0  0  0
    5.3483   -0.1864   -3.0514 H   0  0  0  0  0
    7.0082    0.4015   -2.9320 H   0  0  0  0  0
    5.8976    1.2863   -7.0400 H   0  0  0  0  0
    9.5296    2.1502   -7.6945 H   0  0  0  0  0
   10.2125    4.3802   -8.4571 H   0  0  0  0  0
    8.5673    6.2327   -8.5605 H   0  0  0  0  0
    6.2111    5.8328   -7.8976 H   0  0  0  0  0
    5.4938    3.5993   -7.1437 H   0  0  0  0  0
    6.1001    0.2737   -9.2275 H   0  0  0  0  0
    7.0266   -1.6036  -10.5278 H   0  0  0  0  0
    9.0334   -2.8159   -9.7193 H   0  0  0  0  0
   10.1158   -2.1386   -7.5938 H   0  0  0  0  0
    9.2193   -0.2722   -6.2789 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 21  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423722

>  <PubChem CID>
9997957

>  <Formula>
C22H23NO3

>  <Molecular Weight>
349.430000

>  <IUPAC Name>
[5-[(dimethylamino)methyl]furan-2-yl]methyl 2,2-diphenylacetate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CC1=CC=C(O1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
CN(C)CC1=CC=C(O1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H23NO3/c1-23(2)15-19-13-14-20(26-19)16-25-22(24)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-14,21H,15-16H2,1-2H3

>  <InChI Key>
DGCCMNSIOPUOJG-UHFFFAOYSA-N

