
 MLS000757188

 47 48  0  0  0  0  0  0  0  0999 V2000
    5.6557   -2.3300   -2.7969 C   0  0  0  0  0
    5.4069   -1.4351   -1.5933 C   0  0  0  0  0
    6.0371   -0.0565   -1.7822 C   0  0  0  0  0
    5.7813    0.8445   -0.5722 C   0  0  0  0  0
    6.4320    2.2137   -0.7639 C   0  0  0  0  0
    6.2067    3.1276    0.4481 C   0  0  0  0  0
    6.8705    4.4975    0.2483 C   0  0  0  0  0
    6.6376    5.4175    1.4374 C   0  0  0  0  0
    8.2886    4.2789    0.0959 O   0  0  0  0  0
    8.8357    4.7870   -1.0418 C   0  0  0  0  0
    8.2882    5.6284   -1.7387 O   0  0  0  0  0
   10.0238    4.1518   -1.2726 N   0  0  0  0  0
   10.7722    4.1220   -2.4771 C   0  0  0  0  0
   10.2799    4.7300   -3.6390 C   0  0  0  0  0
   10.9640    4.6395   -4.8470 C   0  0  0  0  0
   12.1597    3.9390   -4.9128 C   0  0  0  0  0
   12.6937    3.3270   -3.7729 C   0  0  0  0  0
   13.9101    2.6329   -3.8779 C   0  0  0  0  0
   14.4826    2.0143   -2.7707 C   0  0  0  0  0
   13.8444    2.0842   -1.5412 C   0  0  0  0  0
   12.6301    2.7692   -1.4201 C   0  0  0  0  0
   12.0123    3.4074   -2.5276 C   0  0  0  0  0
    5.1951   -3.3105   -2.6416 H   0  0  0  0  0
    6.7278   -2.4800   -2.9597 H   0  0  0  0  0
    5.2280   -1.8936   -3.7053 H   0  0  0  0  0
    5.8205   -1.9136   -0.6979 H   0  0  0  0  0
    4.3268   -1.3325   -1.4377 H   0  0  0  0  0
    5.6284    0.4152   -2.6843 H   0  0  0  0  0
    7.1176   -0.1658   -1.9378 H   0  0  0  0  0
    6.1843    0.3701    0.3307 H   0  0  0  0  0
    4.7020    0.9662   -0.4224 H   0  0  0  0  0
    6.0255    2.6925   -1.6632 H   0  0  0  0  0
    7.5063    2.0734   -0.9323 H   0  0  0  0  0
    6.6261    2.6410    1.3374 H   0  0  0  0  0
    5.1312    3.2588    0.6167 H   0  0  0  0  0
    6.4272    4.9615   -0.6413 H   0  0  0  0  0
    6.9822    4.9574    2.3692 H   0  0  0  0  0
    5.5751    5.6605    1.5401 H   0  0  0  0  0
    7.1972    6.3510    1.3153 H   0  0  0  0  0
   10.3061    3.5510   -0.5144 H   0  0  0  0  0
    9.3381    5.2688   -3.6522 H   0  0  0  0  0
   10.5521    5.1077   -5.7368 H   0  0  0  0  0
   12.6737    3.8766   -5.8693 H   0  0  0  0  0
   14.4270    2.5713   -4.8336 H   0  0  0  0  0
   15.4265    1.4852   -2.8707 H   0  0  0  0  0
   14.2909    1.6101   -0.6711 H   0  0  0  0  0
   12.1844    2.8042   -0.4311 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 47  1  0  0  0
M  END

>  <Chemical Name>
MLS000757188

>  <PubChem CID>
347641

>  <Formula>
C19H25NO2

>  <Molecular Weight>
299.414000

>  <IUPAC Name>
octan-2-yl N-naphthalen-1-ylcarbamate

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCCC(C)OC(=O)NC1=CC=CC2=CC=CC=C21

>  <Isomeric SMILES>
CCCCCCC(C)OC(=O)NC1=CC=CC2=CC=CC=C21

>  <InChI Std. ID>
InChI=1S/C19H25NO2/c1-3-4-5-6-10-15(2)22-19(21)20-18-14-9-12-16-11-7-8-13-17(16)18/h7-9,11-15H,3-6,10H2,1-2H3,(H,20,21)

>  <InChI Key>
AAMFJRVOHLKXLD-UHFFFAOYSA-N

