
 CHEMBL208536

 48 49  0  0  0  0  0  0  0  0999 V2000
    0.6813   -0.2131    0.8323 C   0  0  0  0  0
    2.1159   -0.1229    0.5474 N   0  0  0  0  0
    2.3950   -0.7075   -0.7672 C   0  0  0  0  0
    2.5579    1.2822    0.6325 C   0  0  0  0  0
    4.0845    1.4013    0.6369 C   0  0  0  0  0
    4.5913    2.8461    0.8266 C   0  0  0  0  0
    4.2043    3.5167    2.1356 C   0  0  0  0  0
    3.9685    4.9035    2.1419 C   0  0  0  0  0
    3.5163    5.5498    3.2956 C   0  0  0  0  0
    3.3063    4.8174    4.4598 C   0  0  0  0  0
    3.5745    3.4518    4.4875 C   0  0  0  0  0
    4.0365    2.8076    3.3355 C   0  0  0  0  0
    2.7036    5.6004    5.8680 Cl  0  0  0  0  0
    6.0326    2.7979    0.7500 O   0  0  0  0  0
    6.5281    2.8452   -0.5193 C   0  0  0  0  0
    5.8815    3.2195   -1.4838 O   0  0  0  0  0
    7.7788    2.2903   -0.5214 N   0  0  0  0  0
    8.5438    1.9533   -1.6550 C   0  0  0  0  0
    8.3234    2.4953   -2.9239 C   0  0  0  0  0
    9.0726    2.0684   -4.0262 C   0  0  0  0  0
   10.0683    1.1080   -3.8565 C   0  0  0  0  0
   10.3118    0.5789   -2.5880 C   0  0  0  0  0
    9.5600    1.0070   -1.4909 C   0  0  0  0  0
    8.7757    2.6895   -5.2095 O   0  0  0  0  0
    8.9919    1.9139   -6.3826 C   0  0  0  0  0
    0.4667    0.1517    1.8432 H   0  0  0  0  0
    0.3470   -1.2562    0.8027 H   0  0  0  0  0
    0.0817    0.3645    0.1198 H   0  0  0  0  0
    2.0014   -1.7286   -0.8267 H   0  0  0  0  0
    3.4718   -0.7937   -0.9425 H   0  0  0  0  0
    1.9537   -0.1221   -1.5816 H   0  0  0  0  0
    2.1722    1.7067    1.5661 H   0  0  0  0  0
    2.1337    1.8790   -0.1851 H   0  0  0  0  0
    4.4838    1.0314   -0.3154 H   0  0  0  0  0
    4.5211    0.7426    1.3986 H   0  0  0  0  0
    4.1737    3.4604    0.0172 H   0  0  0  0  0
    4.1158    5.4890    1.2353 H   0  0  0  0  0
    3.3181    6.6180    3.2730 H   0  0  0  0  0
    3.4138    2.8780    5.3965 H   0  0  0  0  0
    4.2296    1.7385    3.3858 H   0  0  0  0  0
    8.0540    1.9103    0.3724 H   0  0  0  0  0
    7.5710    3.2612   -3.0886 H   0  0  0  0  0
   10.6815    0.7717   -4.6858 H   0  0  0  0  0
   11.0879   -0.1707   -2.4544 H   0  0  0  0  0
    9.7596    0.5662   -0.5176 H   0  0  0  0  0
    8.5550    2.4583   -7.2256 H   0  0  0  0  0
    8.4886    0.9434   -6.3136 H   0  0  0  0  0
   10.0595    1.7906   -6.5877 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 39  1  0  0  0
 12 40  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
 22 44  1  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL208536

>  <PubChem CID>
11626617

>  <Formula>
C19H23ClN2O3

>  <Molecular Weight>
362.854000

>  <IUPAC Name>
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-(3-methoxyphenyl)carbamate

>  <XlogP>
4.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)NC2=CC(=CC=C2)OC

>  <Isomeric SMILES>
CN(C)CCC(C1=CC=C(C=C1)Cl)OC(=O)NC2=CC(=CC=C2)OC

>  <InChI Std. ID>
InChI=1S/C19H23ClN2O3/c1-22(2)12-11-18(14-7-9-15(20)10-8-14)25-19(23)21-16-5-4-6-17(13-16)24-3/h4-10,13,18H,11-12H2,1-3H3,(H,21,23)

>  <InChI Key>
DVOLCAAFHLSTNK-UHFFFAOYSA-N

