
 carboxylic acid agonist, 14

 48 51  0  0  0  0  0  0  0  0999 V2000
   -1.5627  -10.1005   -6.3504 C   0  0  0  0  0
   -1.0128   -8.6951   -6.3107 C   0  0  0  0  0
   -1.3612   -9.4227   -5.0209 C   0  0  0  0  0
   -0.2693   -9.8131   -4.1110 C   0  0  0  0  0
    0.7444  -10.4059   -4.4451 O   0  0  0  0  0
   -0.4742   -9.4144   -2.8408 O   0  0  0  0  0
   -1.8552   -7.5212   -6.7444 C   0  0  0  0  0
   -2.1332   -6.4680   -5.8647 C   0  0  0  0  0
   -2.8974   -5.3643   -6.2602 C   0  0  0  0  0
   -3.3824   -5.2458   -7.5658 C   0  0  0  0  0
   -3.1421   -6.3133   -8.4379 C   0  0  0  0  0
   -2.3769   -7.4206   -8.0408 C   0  0  0  0  0
   -4.1961   -4.1820   -7.9860 N   0  0  0  0  0
   -3.9676   -2.8866   -7.3591 C   0  0  0  0  0
   -4.8549   -1.8332   -7.9751 C   0  0  0  0  0
   -6.1636   -1.6500   -7.5019 C   0  0  0  0  0
   -6.9656   -0.6219   -8.0025 C   0  0  0  0  0
   -6.4497    0.2491   -8.9650 C   0  0  0  0  0
   -5.1708    0.0400   -9.4833 C   0  0  0  0  0
   -4.3791   -1.0012   -8.9973 C   0  0  0  0  0
   -8.2111   -0.5005   -7.4265 O   0  0  0  0  0
   -9.2441    0.0377   -8.1578 C   0  0  0  0  0
  -10.1136    0.8888   -7.4735 C   0  0  0  0  0
  -11.1931    1.4684   -8.1413 C   0  0  0  0  0
  -11.4075    1.1901   -9.4912 C   0  0  0  0  0
  -10.5605    0.3112  -10.1665 C   0  0  0  0  0
   -9.4911   -0.2829   -9.4951 C   0  0  0  0  0
   -2.5822  -10.2542   -6.6846 H   0  0  0  0  0
   -0.8831  -10.8991   -6.6299 H   0  0  0  0  0
    0.0475   -8.6028   -6.5434 H   0  0  0  0  0
   -2.2714   -9.1222   -4.5091 H   0  0  0  0  0
    0.3263   -9.7226   -2.3679 H   0  0  0  0  0
   -1.7602   -6.5051   -4.8432 H   0  0  0  0  0
   -3.1059   -4.6086   -5.5101 H   0  0  0  0  0
   -3.5410   -6.2934   -9.4491 H   0  0  0  0  0
   -2.1912   -8.2178   -8.7576 H   0  0  0  0  0
   -4.2368   -4.1119   -8.9995 H   0  0  0  0  0
   -2.9173   -2.5865   -7.4685 H   0  0  0  0  0
   -4.1864   -2.9182   -6.2852 H   0  0  0  0  0
   -6.5556   -2.3022   -6.7239 H   0  0  0  0  0
   -7.0312    1.0938   -9.3235 H   0  0  0  0  0
   -4.7855    0.7023  -10.2543 H   0  0  0  0  0
   -3.3776   -1.1399   -9.3985 H   0  0  0  0  0
   -9.9475    1.1033   -6.4212 H   0  0  0  0  0
  -11.8659    2.1358   -7.6093 H   0  0  0  0  0
  -12.2418    1.6498  -10.0148 H   0  0  0  0  0
  -10.7347    0.0843  -11.2150 H   0  0  0  0  0
   -8.8528   -0.9856  -10.0233 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 21  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 43  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
carboxylic acid agonist, 14

>  <PubChem CID>
24825479

>  <Formula>
C23H21NO3

>  <Molecular Weight>
359.425000

>  <IUPAC Name>
2-[4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(C1C(=O)O)C2=CC=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <Isomeric SMILES>
C1C(C1C(=O)O)C2=CC=C(C=C2)NCC3=CC(=CC=C3)OC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H21NO3/c25-23(26)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-13,21-22,24H,14-15H2,(H,25,26)

>  <InChI Key>
ABFWFUAKPRLLAW-UHFFFAOYSA-N

