
 Ono-1301

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.4147    1.1565   -0.5674 C   0  0  0  0  0
    2.3158    1.6659    0.5526 C   0  0  0  0  0
    2.1376    0.9026    1.8479 C   0  0  0  0  0
    1.7595   -0.4613    1.8034 C   0  0  0  0  0
    1.6510   -1.1592    3.0144 C   0  0  0  0  0
    1.9297   -0.5381    4.2323 C   0  0  0  0  0
    2.3189    0.7982    4.2662 C   0  0  0  0  0
    2.4356    1.5217    3.0795 C   0  0  0  0  0
    2.7817    2.8471    3.0244 O   0  0  0  0  0
    3.5964    3.3412    4.0801 C   0  0  0  0  0
    3.9617    4.7893    3.8151 C   0  0  0  0  0
    3.6251    5.4961    2.8804 O   0  0  0  0  0
    4.7518    5.2961    4.7890 O   0  0  0  0  0
    1.4849   -1.1135    0.4933 C   0  0  0  0  0
    1.3104   -0.3353   -0.5910 C   0  0  0  0  0
    1.3171   -2.6142    0.3767 C   0  0  0  0  0
    2.5777   -3.4340    0.6430 C   0  0  0  0  0
    3.6134   -3.0803   -0.2763 O   0  0  0  0  0
    4.4727   -4.1745   -0.4015 N   0  0  0  0  0
    5.7131   -3.8633   -0.6489 C   0  0  0  0  0
    6.3010   -2.4804   -0.6718 C   0  0  0  0  0
    5.8935   -1.5091    0.2511 C   0  0  0  0  0
    6.4562   -0.2292    0.2318 C   0  0  0  0  0
    7.4557    0.0808   -0.6875 C   0  0  0  0  0
    7.8827   -0.8833   -1.5992 C   0  0  0  0  0
    7.2993   -2.1538   -1.6019 C   0  0  0  0  0
    6.6062   -5.0279   -0.9295 C   0  0  0  0  0
    7.9024   -5.1150   -0.4439 C   0  0  0  0  0
    8.7278   -6.1663   -0.6855 N   0  0  0  0  0
    8.2250   -7.1806   -1.4254 C   0  0  0  0  0
    6.9381   -7.1942   -1.9369 C   0  0  0  0  0
    6.1151   -6.0989   -1.6817 C   0  0  0  0  0
    1.8039    1.5149   -1.5275 H   0  0  0  0  0
    0.4034    1.5694   -0.4604 H   0  0  0  0  0
    3.3673    1.5735    0.2522 H   0  0  0  0  0
    2.1077    2.7334    0.6890 H   0  0  0  0  0
    1.3373   -2.1987    3.0412 H   0  0  0  0  0
    1.8324   -1.0987    5.1590 H   0  0  0  0  0
    2.5006    1.2481    5.2356 H   0  0  0  0  0
    4.5250    2.7618    4.1349 H   0  0  0  0  0
    3.0521    3.3225    5.0300 H   0  0  0  0  0
    4.8941    6.2254    4.5081 H   0  0  0  0  0
    1.0637   -0.7813   -1.5513 H   0  0  0  0  0
    0.9739   -2.8619   -0.6377 H   0  0  0  0  0
    0.5135   -2.9470    1.0450 H   0  0  0  0  0
    2.3253   -4.4975    0.5331 H   0  0  0  0  0
    2.9579   -3.2861    1.6584 H   0  0  0  0  0
    5.1332   -1.7297    0.9956 H   0  0  0  0  0
    6.1108    0.5235    0.9380 H   0  0  0  0  0
    7.8987    1.0731   -0.6956 H   0  0  0  0  0
    8.6656   -0.6434   -2.3142 H   0  0  0  0  0
    7.6374   -2.8766   -2.3407 H   0  0  0  0  0
    8.3354   -4.3369    0.1771 H   0  0  0  0  0
    8.9018   -8.0101   -1.5975 H   0  0  0  0  0
    6.5780   -8.0361   -2.5187 H   0  0  0  0  0
    5.0975   -6.0801   -2.0671 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 14  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 20 27  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 53  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 30 54  1  0  0  0
 31 32  2  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
M  END

>  <Chemical Name>
Ono-1301

>  <PubChem CID>
6536812

>  <Formula>
C26H24N2O4

>  <Molecular Weight>
428.488000

>  <IUPAC Name>
2-[[5-[2-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]oxyethyl]-7,8-dihydronaphthalen-1-yl]oxy]acetic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2=C(C=CC=C2OCC(=O)O)C(=C1)CCON=C(C3=CC=CC=C3)C4=CN=CC=C4

>  <Isomeric SMILES>
C1CC2=C(C=CC=C2OCC(=O)O)C(=C1)CCO/N=C(\C3=CC=CC=C3)/C4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H24N2O4/c29-25(30)18-31-24-13-5-11-22-19(9-4-12-23(22)24)14-16-32-28-26(20-7-2-1-3-8-20)21-10-6-15-27-17-21/h1-3,5-11,13,15,17H,4,12,14,16,18H2,(H,29,30)/b28-26+

>  <InChI Key>
WBBLIRPKRKYMTD-BYCLXTJYSA-N

