
 SCHEMBL3308944

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.7400    5.7938   -3.1435 C   0  0  0  0  0
    3.8994    5.3052   -2.2887 C   0  0  0  0  0
    4.5854    4.0885   -2.9148 C   0  0  0  0  0
    5.7862    3.5842   -2.1043 C   0  0  0  0  0
    5.3753    2.9826   -0.7577 C   0  0  0  0  0
    6.5442    2.4642    0.0667 C   0  0  0  0  0
    7.3403    3.3261    0.8745 C   0  0  0  0  0
    8.2923    2.7626    1.7463 C   0  0  0  0  0
    8.5230    1.3904    1.7722 C   0  0  0  0  0
    7.8093    0.5547    0.9245 C   0  0  0  0  0
    6.8281    1.0706    0.0637 C   0  0  0  0  0
    6.0738    0.0902   -0.7992 C   0  0  0  0  0
    7.2029    4.8307    0.8372 C   0  0  0  0  0
    6.1771    5.3675    0.4440 O   0  0  0  0  0
    8.2945    5.5661    1.2511 N   0  0  0  0  0
    8.4554    7.0369    1.1077 C   0  0  0  0  0
    8.8607    7.4098   -0.3460 C   0  0  0  0  0
    7.7177    8.2388   -0.8328 C   0  0  0  0  0
    7.5438    8.7479   -2.1110 C   0  0  0  0  0
    6.3984    9.4976   -2.3786 C   0  0  0  0  0
    5.4493    9.7276   -1.3724 C   0  0  0  0  0
    5.6416    9.2218   -0.0843 C   0  0  0  0  0
    6.7848    8.4812    0.1740 C   0  0  0  0  0
    7.2027    7.8792    1.4835 C   0  0  0  0  0
    9.6269    7.4531    2.0204 C   0  0  0  0  0
    9.9851    8.5868    2.2965 O   0  0  0  0  0
   10.3633    6.4040    2.4713 O   0  0  0  0  0
    2.2688    6.6657   -2.6784 H   0  0  0  0  0
    1.9780    5.0149   -3.2512 H   0  0  0  0  0
    3.0807    6.0834   -4.1423 H   0  0  0  0  0
    3.5125    5.0603   -1.2944 H   0  0  0  0  0
    4.6246    6.1177   -2.1650 H   0  0  0  0  0
    4.9351    4.3552   -3.9199 H   0  0  0  0  0
    3.8591    3.2759   -3.0398 H   0  0  0  0  0
    6.5053    4.4000   -1.9706 H   0  0  0  0  0
    6.3028    2.8178   -2.6959 H   0  0  0  0  0
    4.6561    2.1750   -0.9395 H   0  0  0  0  0
    4.7919    3.6800   -0.1505 H   0  0  0  0  0
    8.8532    3.3751    2.4465 H   0  0  0  0  0
    9.2594    0.9733    2.4541 H   0  0  0  0  0
    8.0084   -0.5151    0.9513 H   0  0  0  0  0
    5.9381    0.4790   -1.8130 H   0  0  0  0  0
    5.0987   -0.1306   -0.3543 H   0  0  0  0  0
    6.6237   -0.8519   -0.9025 H   0  0  0  0  0
    9.1645    5.0894    1.4508 H   0  0  0  0  0
    8.9828    6.5236   -0.9785 H   0  0  0  0  0
    9.7820    8.0023   -0.3884 H   0  0  0  0  0
    8.2772    8.5668   -2.8900 H   0  0  0  0  0
    6.2381    9.9028   -3.3743 H   0  0  0  0  0
    4.5561   10.3043   -1.5979 H   0  0  0  0  0
    4.9048    9.3999    0.6923 H   0  0  0  0  0
    6.3983    7.2832    1.9231 H   0  0  0  0  0
    7.4365    8.6904    2.1821 H   0  0  0  0  0
   11.0693    6.8395    2.9972 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 13  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  2  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 24  1  0  0  0
 16 17  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 22 23  2  0  0  0
 22 51  1  0  0  0
 23 24  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 54  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL3308944

>  <PubChem CID>
59314237

>  <Formula>
C23H27NO3

>  <Molecular Weight>
365.473000

>  <IUPAC Name>
2-[(3-methyl-2-pentylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <Isomeric SMILES>
CCCCCC1=C(C=CC=C1C)C(=O)NC2(CC3=CC=CC=C3C2)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H27NO3/c1-3-4-5-12-19-16(2)9-8-13-20(19)21(25)24-23(22(26)27)14-17-10-6-7-11-18(17)15-23/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,24,25)(H,26,27)

>  <InChI Key>
XTSVCKSIAZUPIW-UHFFFAOYSA-N

