663437
  -OEChem-04252405152D

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    8.1552   -3.8348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889   -3.8104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7209    2.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3422    4.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619   -2.0552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9886    3.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   -2.9212    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4783   -1.2505    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0619   -2.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5564   -3.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8983   -4.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4783   -2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7889   -0.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211    0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674   -0.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4318    1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0781    0.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    1.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6994    2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    3.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9427   -2.9537    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0908   -1.1543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6445   -1.8431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9542   -1.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1730   -2.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5564   -2.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0165   -4.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3540   -3.8123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4376   -4.9188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2627   -5.0055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144    0.3165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1815   -0.5552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0177    1.8564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6848    0.9847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.4006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4643   -2.8881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7200    2.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3132    2.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1812    4.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4027    3.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  2 23  1  0  0  0  0
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  5 31  1  0  0  0  0
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  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
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 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
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 16 17  1  0  0  0  0
 18 21  2  0  0  0  0
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 20 23  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
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 22 25  2  0  0  0  0
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 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
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 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 49  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
663437

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
802

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASIAAAAwYIAAAAAAAFiBQAAAHgAQAAAADDzhmAYwBoNABACIAqFSEAKCCAAkIAAIiAFODMgOJj6EtR+HOWjk9hGYqYeY2OOOIAAAAAAIAABAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[4-[3,9-dioxo-2-(tetrahydrofuran-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[3,9-dioxo-2-(2-oxolanylmethyl)-1H-[1]benzopyrano[2,3-c]pyrrol-1-yl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1<I>H</I>-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[4-[3,9-dioxo-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[4-[3,9-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[3,9-diketo-2-(tetrahydrofurfuryl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H22N2O6/c25-19(27)13-31-15-9-7-14(8-10-15)21-20-22(28)17-5-1-2-6-18(17)32-23(20)24(29)26(21)12-16-4-3-11-30-16/h1-2,5-10,16,21H,3-4,11-13H2,(H2,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
RGFIBOJJHMMWEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
434.14778643

> <PUBCHEM_MOLECULAR_FORMULA>
C24H22N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
434.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(OC1)CN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(OC1)CN2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC=C(C=C5)OCC(=O)N

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.14778643

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
10  18  3
13  17  8
13  19  8
18  21  8
18  22  8
19  20  8
2  17  8
2  23  8
20  23  8
20  26  8
21  24  8
22  25  8
23  27  8
24  28  8
25  28  8
26  29  8
27  30  8
29  30  8
9  11  3

$$$$