60592901
  -OEChem-05072416172D

 54 55  0     1  0  0  0  0  0999 V2000
    4.7404   -0.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8994    1.0891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6210    3.4055    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4347   -0.5582    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4128   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6915    0.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563    1.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3642    2.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    4.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700    3.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0858    5.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558   -0.7804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792   -0.0981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    0.2393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277   -1.6771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4144   -0.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337   -2.4964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7453   -2.3239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891    1.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814    1.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    1.2324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    2.5041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6927    3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4038    4.1514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1575    4.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4784    3.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0803    2.9049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    2.5068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -4.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.6727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5007    5.5135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6710    4.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.0277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.5158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5897    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 16  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 33  1  0  0  0  0
  6 15  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  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 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 23  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60592901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
444

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCzhmAYyBoPABACIAiFSEACCCAAkIAAIiIGODMgMZjaEtTuWOWjm9hGIqYeYySCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(2-ethoxyphenyl)-oxomethyl]-N-[2-[ethyl(methyl)amino]ethyl]-2-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(2-ethoxybenzoyl)-<I>N</I>-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(2-ethoxyphenyl)carbonyl-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H29N3O3/c1-4-21(3)14-12-20-18(23)16-10-8-13-22(16)19(24)15-9-6-7-11-17(15)25-5-2/h6-7,9,11,16H,4-5,8,10,12-14H2,1-3H3,(H,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
OJEKZEQYPISADY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
347.22089180

> <PUBCHEM_MOLECULAR_FORMULA>
C19H29N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
347.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(C)CCNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(C)CCNC(=O)C1CCCN1C(=O)C2=CC=CC=C2OCC

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.22089180

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
14  16  8
14  17  8
16  20  8
17  21  8
20  22  8
21  22  8
7  11  3

$$$$