
 SMR000093497

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.8486   -1.1698    0.0844 C   0  0  0  0  0
    2.3233   -0.9591    0.1629 C   0  0  0  0  0
    3.0038    0.2611    0.1426 C   0  0  0  0  0
    4.3529   -0.0227    0.2162 N   0  0  0  0  0
    4.5437   -1.3693    0.2499 C   0  0  0  0  0
    3.3115   -1.9882    0.2363 C   0  0  0  0  0
    3.2061   -3.4461    0.2367 C   0  0  0  0  0
    2.1240   -4.0265    0.2701 O   0  0  0  0  0
    4.5181   -4.2270    0.2748 C   0  0  0  0  0
    5.7246   -3.4738   -0.3228 C   0  0  0  0  0
    5.8703   -2.0454    0.2500 C   0  0  0  0  0
    5.6944   -3.4653   -1.8253 C   0  0  0  0  0
    4.8136   -2.9927   -2.7791 C   0  0  0  0  0
    5.3849   -3.2904   -4.0390 C   0  0  0  0  0
    6.5750   -3.9251   -3.7789 C   0  0  0  0  0
    6.7727   -4.0342   -2.4405 O   0  0  0  0  0
    2.4868    1.6102    0.0318 C   0  0  0  0  0
    1.3094    1.9380    0.0366 O   0  0  0  0  0
    3.5365    2.4703   -0.1351 O   0  0  0  0  0
    3.1786    3.8267   -0.4438 C   0  0  0  0  0
    2.8609    3.9814   -1.9390 C   0  0  0  0  0
    2.4608    5.4204   -2.2534 C   0  0  0  0  0
    4.0445    3.5520   -2.8090 C   0  0  0  0  0
    0.3437   -0.3378   -0.4131 H   0  0  0  0  0
    0.4292   -1.2803    1.0892 H   0  0  0  0  0
    0.6101   -2.0693   -0.4922 H   0  0  0  0  0
    5.0759    0.6876    0.2022 H   0  0  0  0  0
    4.7183   -4.4513    1.3299 H   0  0  0  0  0
    4.3656   -5.1787   -0.2479 H   0  0  0  0  0
    6.6273   -4.0287   -0.0288 H   0  0  0  0  0
    6.6058   -1.4649   -0.3193 H   0  0  0  0  0
    6.2264   -2.1055    1.2860 H   0  0  0  0  0
    3.8738   -2.4886   -2.5996 H   0  0  0  0  0
    4.9781   -3.0691   -5.0160 H   0  0  0  0  0
    7.3554   -4.3384   -4.4021 H   0  0  0  0  0
    4.0397    4.4486   -0.1732 H   0  0  0  0  0
    2.3426    4.1577    0.1851 H   0  0  0  0  0
    2.0186    3.3267   -2.1935 H   0  0  0  0  0
    3.2791    6.1167   -2.0407 H   0  0  0  0  0
    1.5937    5.7217   -1.6566 H   0  0  0  0  0
    2.1920    5.5263   -3.3098 H   0  0  0  0  0
    4.9340    4.1543   -2.5947 H   0  0  0  0  0
    3.8058    3.6673   -3.8717 H   0  0  0  0  0
    4.2987    2.5001   -2.6417 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 20 37  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 21 38  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
SMR000093497

>  <PubChem CID>
5308593

>  <Formula>
C18H21NO4

>  <Molecular Weight>
315.369000

>  <IUPAC Name>
2-methylpropyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC(C)C

>  <Isomeric SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC(C)C

>  <InChI Std. ID>
InChI=1S/C18H21NO4/c1-10(2)9-23-18(21)17-11(3)16-13(19-17)7-12(8-14(16)20)15-5-4-6-22-15/h4-6,10,12,19H,7-9H2,1-3H3

>  <InChI Key>
BKTVAGCHZGSVFM-UHFFFAOYSA-N

