54582270
  -OEChem-05132422092D

 43 46  0     0  0  0  0  0  0999 V2000
   12.5077   -0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6987    1.9945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -2.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    0.4658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3320   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6987   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5077    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6769   -2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -1.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769   -1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6769    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6604    0.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2380   -2.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6366   -0.0132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4617    0.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9291   -2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7935    1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033   -1.5073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003   -1.5042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7935   -1.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9291    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -0.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -0.2329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -1.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  2  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 19  1  0  0  0  0
  8 24  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 29  1  0  0  0  0
 15 18  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 31  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 25  2  0  0  0  0
 22 35  1  0  0  0  0
 23 26  2  0  0  0  0
 23 36  1  0  0  0  0
 24 27  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 26 40  1  0  0  0  0
 28 41  1  0  0  0  0
 28 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54582270

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
574

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7OAAAAAAAAAAAAAAAAAAAASJAAAA8QAAAAAAAAACx/gAAHgAQAAAADAzhngYyzLLIFECoA63y3ASCiCQnMiAImKG+fNgOZvrEtbuXOajmxhHY6cff2aOeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methyl 2-[[2,3-bis(2-furyl)quinoxaline-6-carbonyl]amino]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[[2,3-bis(2-furanyl)-6-quinoxalinyl]-oxomethyl]amino]acetic acid methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
methyl 2-[[2,3-bis(furan-2-yl)quinoxaline-6-carbonyl]amino]acetate

> <PUBCHEM_IUPAC_NAME>
methyl 2-[[2,3-bis(furan-2-yl)quinoxaline-6-carbonyl]amino]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methyl 2-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbonylamino]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2,3-bis(2-furyl)quinoxaline-6-carbonyl]amino]acetic acid methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H15N3O5/c1-26-17(24)11-21-20(25)12-6-7-13-14(10-12)23-19(16-5-3-9-28-16)18(22-13)15-4-2-8-27-15/h2-10H,11H2,1H3,(H,21,25)

> <PUBCHEM_IUPAC_INCHIKEY>
FVMUAEWXYQMDEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
377.10117059

> <PUBCHEM_MOLECULAR_FORMULA>
C20H15N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
377.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC(=O)CNC(=O)C1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
377.10117059

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  16  8
1  25  8
10  15  8
11  12  8
13  14  8
13  18  8
15  18  8
16  20  8
17  21  8
2  17  8
2  26  8
20  22  8
21  23  8
22  25  8
23  26  8
6  11  8
6  9  8
7  10  8
7  12  8
9  10  8
9  14  8

$$$$