3239254
  -OEChem-05072415112D

 46 49  0     1  0  0  0  0  0999 V2000
   10.3038   -1.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106   -0.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.3372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2106    1.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1270   -0.1474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.1574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3147   -0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7106   -1.0747    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1270    1.4621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7106    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9130   -2.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0470   -2.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2106   -0.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4376    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7106    0.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    0.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9162   -0.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7133   -0.8176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    1.0497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914   -1.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3217   -1.1144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7051   -0.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3196   -0.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1652   -2.7238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5027   -1.9658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5862   -3.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4114   -3.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7932    0.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1029    0.4019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0270    2.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302    3.0019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8483    2.6052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.1115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  2 22  1  0  0  0  0
  3 17  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  2  0  0  0  0
  5 22  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 15 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3239254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
524

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAAWJEgAAwAAAAAAAAAFgB4AAAHgAQAAAADRyhngIyjJLJlECoA6zyzASCiCAnICAImSG2TNgPJnrEtbuHGajk0BHa6ce///m+gAAAAAAAAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetrahydrofuran-2-ylmethyl 6-(2-furyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-oxolanylmethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxolan-2-ylmethyl 6-(furan-2-yl)-3-methyl-4-oxidanylidene-1,5,6,7-tetrahydroindole-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-(2-furyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid tetrahydrofurfuryl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21NO5/c1-11-17-14(8-12(9-15(17)21)16-5-3-7-24-16)20-18(11)19(22)25-10-13-4-2-6-23-13/h3,5,7,12-13,20H,2,4,6,8-10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
ZHDLUAUXYMUFKZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
343.14197277

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC4CCCO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(NC2=C1C(=O)CC(C2)C3=CC=CO3)C(=O)OCC4CCCO4

> <PUBCHEM_CACTVS_TPSA>
81.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.14197277

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
11  14  8
13  20  3
14  16  8
17  23  8
23  24  8
24  25  8
3  17  8
3  25  8
6  16  8
6  9  8
7  17  3
9  11  8

$$$$