1-Isopropyl-1h-indole-3-carboxylic acid
  -molcms-06112613122D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -3.0032    0.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3090    0.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    0.9511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032    0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    2.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680    2.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  2 15  1  0  0  0  0
M  END
>  <ProductName>
1-Isopropyl-1h-indole-3-carboxylic acid

>  <CASNumber>
158574-87-9

>  <MolecularFormula>
C12 H13 N O2

>  <MDLNo>
MFCD22375194

>  <MolWt>
203.24

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C(C1=CN(C(C)C)C2=C1C=CC=C2)O

$$$$