
 CHEMBL204516

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.6956   -0.5905   -1.2944 C   0  0  0  0  0
    2.1138    0.4770   -0.4132 N   0  0  0  0  0
    3.3324    1.0984   -0.5071 C   0  0  0  0  0
    3.4252    2.0410    0.5007 C   0  0  0  0  0
    2.1871    1.9929    1.2209 C   0  0  0  0  0
    1.6695    2.7171    2.3178 C   0  0  0  0  0
    0.3777    2.4540    2.7803 C   0  0  0  0  0
   -0.4020    1.4775    2.1721 C   0  0  0  0  0
    0.0849    0.7392    1.0889 C   0  0  0  0  0
    1.3813    1.0164    0.6222 C   0  0  0  0  0
    4.5589    2.9168    0.7623 C   0  0  0  0  0
    4.7565    3.4579    1.8453 O   0  0  0  0  0
    5.3447    3.0922   -0.3408 O   0  0  0  0  0
    6.3832    4.0850   -0.2052 C   0  0  0  0  0
    7.4039    3.8310   -1.3310 C   0  0  0  0  0
    8.5858    4.8095   -1.2864 C   0  0  0  0  0
    9.6323    4.5078   -2.2814 N   0  0  0  0  0
    9.1551    4.6912   -3.6549 C   0  0  0  0  0
   10.7942    5.3744   -2.0525 C   0  0  0  0  0
    5.7625    5.4720   -0.2846 C   0  0  0  0  0
    5.0352    5.8861   -1.4131 C   0  0  0  0  0
    4.4700    7.1626   -1.4638 C   0  0  0  0  0
    4.6179    8.0297   -0.3842 C   0  0  0  0  0
    5.3236    7.6316    0.7482 C   0  0  0  0  0
    5.8927    6.3570    0.7975 C   0  0  0  0  0
    3.9182    9.6008   -0.4470 Cl  0  0  0  0  0
    0.6242   -0.7711   -1.1939 H   0  0  0  0  0
    2.2547   -1.4902   -1.0254 H   0  0  0  0  0
    1.9169   -0.2978   -2.3241 H   0  0  0  0  0
    4.0447    0.8157   -1.2715 H   0  0  0  0  0
    2.2701    3.4854    2.7981 H   0  0  0  0  0
   -0.0167    3.0208    3.6195 H   0  0  0  0  0
   -1.4068    1.2856    2.5424 H   0  0  0  0  0
   -0.5388   -0.0188    0.6265 H   0  0  0  0  0
    6.8996    3.9405    0.7537 H   0  0  0  0  0
    6.8950    3.8723   -2.3008 H   0  0  0  0  0
    7.7737    2.8007   -1.2395 H   0  0  0  0  0
    9.0276    4.7447   -0.2831 H   0  0  0  0  0
    8.2360    5.8415   -1.4148 H   0  0  0  0  0
    8.3890    3.9525   -3.9094 H   0  0  0  0  0
    9.9698    4.5344   -4.3712 H   0  0  0  0  0
    8.7437    5.6935   -3.8197 H   0  0  0  0  0
   11.1986    5.2218   -1.0454 H   0  0  0  0  0
   10.5465    6.4362   -2.1681 H   0  0  0  0  0
   11.6013    5.1304   -2.7521 H   0  0  0  0  0
    4.8963    5.2128   -2.2559 H   0  0  0  0  0
    3.9104    7.4697   -2.3437 H   0  0  0  0  0
    5.4272    8.3014    1.5973 H   0  0  0  0  0
    6.4234    6.0512    1.6975 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 10  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 20  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 16 39  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL204516

>  <PubChem CID>
44409534

>  <Formula>
C21H23ClN2O2

>  <Molecular Weight>
370.877000

>  <IUPAC Name>
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] 1-methylindole-3-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C=C(C2=CC=CC=C21)C(=O)OC(CCN(C)C)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CN1C=C(C2=CC=CC=C21)C(=O)OC(CCN(C)C)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O2/c1-23(2)13-12-20(15-8-10-16(22)11-9-15)26-21(25)18-14-24(3)19-7-5-4-6-17(18)19/h4-11,14,20H,12-13H2,1-3H3

>  <InChI Key>
CXDNKHGNUKSCRG-UHFFFAOYSA-N

