24978678
  -OEChem-05092400432D

 64 66  0     1  0  0  0  0  0999 V2000
   11.5054   -2.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353   -4.5989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0109   -2.9809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7785    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0327   -2.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8418   -1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -2.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176   -3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8298   -4.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4121   -3.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2366   -5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8189   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2311   -5.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2475   -5.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530   -5.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9606   -1.1593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4127   -2.7730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9679   -3.3896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3433   -1.0073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5318   -0.8348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5856    0.3292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841   -0.3611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7766   -3.4974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.8041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8721   -6.1186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4355   -4.9773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4833   -6.2879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0766   -6.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8048   -5.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3178   -4.6868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364   -5.2386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1882   -5.9200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422    4.1389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    4.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    5.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.3415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    5.7215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.7585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.6846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 12  2  0  0  0  0
  3 15  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 27  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 18  2  0  0  0  0
 16 20  1  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 21  1  0  0  0  0
 18 44  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  0  0  0  0
 23 48  1  0  0  0  0
 24 28  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 31  1  0  0  0  0
 29 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24978678

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
601

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgAQAAAADQzhmAYyxoPABACIAiVSUACCCAAhIgAIiIEP7IgPJjrE8ZuHOCrk1hHa6AeV0LIOIAABAAAAUABAAAIAAACgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(3,4-diethoxyphenyl)ethyl]-5-keto-1-o-phenetyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H32N2O5/c1-4-30-21-10-8-7-9-20(21)27-17-19(16-24(27)28)25(29)26-14-13-18-11-12-22(31-5-2)23(15-18)32-6-3/h7-12,15,19H,4-6,13-14,16-17H2,1-3H3,(H,26,29)

> <PUBCHEM_IUPAC_INCHIKEY>
HWNSJSNISLQGHU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
440.23112213

> <PUBCHEM_MOLECULAR_FORMULA>
C25H32N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
440.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OCC)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=C(C=C(C=C1)CCNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3OCC)OCC

> <PUBCHEM_CACTVS_TPSA>
77.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.23112213

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
13  15  8
13  16  8
15  18  8
16  20  8
18  21  8
19  22  8
19  23  8
20  21  8
22  25  8
23  26  8
25  27  8
26  27  8
8  12  3

$$$$