
 1307803-47-9

 47 50  0  0  0  0  0  0  0  0999 V2000
    4.7963    1.1792   -4.4037 C   0  0  0  0  0
    4.9147    1.6233   -2.9545 C   0  0  0  0  0
    6.0925    0.9425   -2.2529 C   0  0  0  0  0
    6.1676    1.2629   -0.7587 C   0  0  0  0  0
    6.4687    2.6549   -0.4670 N   0  0  0  0  0
    5.5247    3.5850   -0.1383 C   0  0  0  0  0
    6.1461    4.7949    0.1232 C   0  0  0  0  0
    7.5502    4.5800   -0.1057 C   0  0  0  0  0
    7.7226    3.2256   -0.4335 C   0  0  0  0  0
    8.9897    2.6637   -0.6715 C   0  0  0  0  0
   10.1113    3.4902   -0.5828 C   0  0  0  0  0
    9.9611    4.8363   -0.2877 C   0  0  0  0  0
    8.7030    5.3978   -0.0634 C   0  0  0  0  0
   11.0438    5.6642   -0.2000 O   0  0  0  0  0
    5.3796    5.9747    0.5388 C   0  0  0  0  0
    4.1683    6.0414    0.3346 O   0  0  0  0  0
    6.0280    7.0730    1.3102 C   0  0  0  0  0
    6.8738    6.7137    2.3745 C   0  0  0  0  0
    7.4682    7.6920    3.1620 C   0  0  0  0  0
    7.1910    9.0353    2.9221 C   0  0  0  0  0
    6.3155    9.4227    1.8953 C   0  0  0  0  0
    6.0258   10.7841    1.7091 C   0  0  0  0  0
    5.1510   11.2044    0.7081 C   0  0  0  0  0
    4.5683   10.2656   -0.1297 C   0  0  0  0  0
    4.8536    8.9084    0.0378 C   0  0  0  0  0
    5.7196    8.4419    1.0602 C   0  0  0  0  0
    3.9525    1.6827   -4.8863 H   0  0  0  0  0
    4.6299    0.0991   -4.4711 H   0  0  0  0  0
    5.7040    1.4236   -4.9645 H   0  0  0  0  0
    3.9808    1.3880   -2.4303 H   0  0  0  0  0
    5.0376    2.7116   -2.9304 H   0  0  0  0  0
    7.0284    1.2280   -2.7490 H   0  0  0  0  0
    5.9927   -0.1449   -2.3631 H   0  0  0  0  0
    6.9444    0.6551   -0.2810 H   0  0  0  0  0
    5.2222    1.0129   -0.2624 H   0  0  0  0  0
    4.4726    3.3290   -0.1010 H   0  0  0  0  0
    9.1048    1.6127   -0.9179 H   0  0  0  0  0
   11.0933    3.0602   -0.7548 H   0  0  0  0  0
    8.6339    6.4606    0.1500 H   0  0  0  0  0
   11.8453    5.1458   -0.3783 H   0  0  0  0  0
    7.0738    5.6685    2.6016 H   0  0  0  0  0
    8.1370    7.4102    3.9714 H   0  0  0  0  0
    7.6575    9.7847    3.5586 H   0  0  0  0  0
    6.4730   11.5368    2.3554 H   0  0  0  0  0
    4.9261   12.2597    0.5878 H   0  0  0  0  0
    3.8828   10.5820   -0.9129 H   0  0  0  0  0
    4.3695    8.2084   -0.6416 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  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 26  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
1307803-47-9

>  <PubChem CID>
53394453

>  <Formula>
C23H21NO2

>  <Molecular Weight>
343.426000

>  <IUPAC Name>
(1-butyl-5-hydroxyindol-3-yl)-naphthalen-1-ylmethanone

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(20-14-17(25)11-12-22(20)24)23(26)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14-15,25H,2-3,13H2,1H3

>  <InChI Key>
JZGAGMUTAYXMMJ-UHFFFAOYSA-N

