
 oxprenolol

 42 42  0  0  0  0  0  0  0  0999 V2000
    6.0902   -2.0596   -3.2555 C   0  0  0  0  0
    5.2755   -1.7013   -2.0093 C   0  0  0  0  0
    5.5285   -2.7378   -0.9142 C   0  0  0  0  0
    5.6504   -0.3406   -1.5920 N   0  0  0  0  0
    4.7743    0.1840   -0.5210 C   0  0  0  0  0
    5.1350    1.6594   -0.2514 C   0  0  0  0  0
    4.3080    2.2655    0.8888 C   0  0  0  0  0
    2.9253    2.1421    0.5607 O   0  0  0  0  0
    1.9784    2.5314    1.4699 C   0  0  0  0  0
    0.7078    2.0226    1.1604 C   0  0  0  0  0
   -0.4042    2.3362    1.9375 C   0  0  0  0  0
   -0.2606    3.1913    3.0238 C   0  0  0  0  0
    0.9964    3.7143    3.3378 C   0  0  0  0  0
    2.1305    3.3690    2.5890 C   0  0  0  0  0
    3.3662    3.8800    2.8543 O   0  0  0  0  0
    3.7033    4.2307    4.1921 C   0  0  0  0  0
    5.0023    3.5494    4.5111 C   0  0  0  0  0
    6.2001    4.1433    4.5150 C   0  0  0  0  0
    6.5341    1.7520    0.0476 O   0  0  0  0  0
    5.8939   -1.3555   -4.0717 H   0  0  0  0  0
    5.8269   -3.0604   -3.6155 H   0  0  0  0  0
    7.1666   -2.0488   -3.0494 H   0  0  0  0  0
    4.2149   -1.7236   -2.2880 H   0  0  0  0  0
    6.5611   -2.6914   -0.5496 H   0  0  0  0  0
    5.3524   -3.7507   -1.2923 H   0  0  0  0  0
    4.8581   -2.5931   -0.0606 H   0  0  0  0  0
    5.5645    0.2770   -2.4033 H   0  0  0  0  0
    4.9436   -0.3889    0.3962 H   0  0  0  0  0
    3.7212    0.0962   -0.8098 H   0  0  0  0  0
    4.9544    2.2394   -1.1660 H   0  0  0  0  0
    4.5979    3.3188    0.9742 H   0  0  0  0  0
    4.5336    1.7479    1.8289 H   0  0  0  0  0
    0.5877    1.3741    0.2953 H   0  0  0  0  0
   -1.3792    1.9304    1.6829 H   0  0  0  0  0
   -1.1283    3.4645    3.6182 H   0  0  0  0  0
    1.0556    4.4194    4.1620 H   0  0  0  0  0
    2.9727    3.9122    4.9413 H   0  0  0  0  0
    3.7993    5.3223    4.2461 H   0  0  0  0  0
    4.9347    2.4912    4.7439 H   0  0  0  0  0
    6.3228    5.1904    4.2582 H   0  0  0  0  0
    7.0987    3.5748    4.7434 H   0  0  0  0  0
    6.9499    1.0526   -0.4984 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 19  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
M  END

>  <Chemical Name>
oxprenolol

>  <PubChem CID>
4631

>  <Formula>
C15H23NO3

>  <Molecular Weight>
265.353000

>  <IUPAC Name>
1-(propan-2-ylamino)-3-(2-prop-2-enoxyphenoxy)propan-2-ol

>  <XlogP>
2.100

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)NCC(COC1=CC=CC=C1OCC=C)O

>  <Isomeric SMILES>
CC(C)NCC(COC1=CC=CC=C1OCC=C)O

>  <InChI Std. ID>
InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3

>  <InChI Key>
CEMAWMOMDPGJMB-UHFFFAOYSA-N

