60433167
  -OEChem-05062411042D

 44 46  0     1  0  0  0  0  0999 V2000
    3.8744    0.1555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4117    3.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    1.4427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5686   -0.2046    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5468    0.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3776   -1.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8255    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2902    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8290    3.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    4.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3072    4.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9898   -0.4268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132    0.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552    0.5930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4616   -1.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5484   -0.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677   -2.1428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792   -1.9703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6230    1.6343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    2.3441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9617    1.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.8891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.3191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2124    3.7683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0769    5.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7679    4.9061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.7361    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 17  1  0  0  0  0
  4 23  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 13  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 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60433167

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
456

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBoPABECIAqlSkACCCAAkIAAIiIGODMgOZjaEtTuXOWjm9hGYqYeY2SKOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-furylmethyl)-1-(2-methoxybenzoyl)pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-furanylmethyl)-1-[(2-methoxyphenyl)-oxomethyl]-2-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(furan-2-ylmethyl)-1-(2-methoxybenzoyl)pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(furan-2-ylmethyl)-1-(2-methoxybenzoyl)pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)carbonyl-pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2-furfuryl)-1-o-anisoyl-pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N2O4/c1-23-16-9-3-2-7-14(16)18(22)20-10-4-8-15(20)17(21)19-12-13-6-5-11-24-13/h2-3,5-7,9,11,15H,4,8,10,12H2,1H3,(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
BUIZYNGXQQLJDP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
328.14230712

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
328.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1C(=O)N2CCCC2C(=O)NCC3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1C(=O)N2CCCC2C(=O)NCC3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
71.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.14230712

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  19  8
17  21  8
18  20  8
19  20  8
21  22  8
22  23  8
4  17  8
4  23  8
7  11  3

$$$$