56714291
  -OEChem-04252407372D

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    9.1738    1.8772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7667   -0.2106    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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    7.8648    2.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2342    0.7643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6607   -2.3914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
56714291

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
441

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBINABECIAqlSkACCCAAkIAAIiIGODMgMZjKE9TuWOSjk1hGIqYe8yfCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,4S)-4-amino-N,N-diethyl-1-[[2-(2-furyl)phenyl]methyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,4S)-4-amino-N,N-diethyl-1-[[2-(2-furanyl)phenyl]methyl]-2-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,4<I>S</I>)-4-amino-<I>N</I>,<I>N</I>-diethyl-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(2S,4S)-4-amino-N,N-diethyl-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,4S)-4-azanyl-N,N-diethyl-1-[[2-(furan-2-yl)phenyl]methyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,4S)-4-amino-N,N-diethyl-1-[2-(2-furyl)benzyl]pyrrolidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H27N3O2/c1-3-22(4-2)20(24)18-12-16(21)14-23(18)13-15-8-5-6-9-17(15)19-10-7-11-25-19/h5-11,16,18H,3-4,12-14,21H2,1-2H3/t16-,18-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ORRWCWDAWASSLT-WMZOPIPTSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
341.21032711

> <PUBCHEM_MOLECULAR_FORMULA>
C20H27N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
341.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)C(=O)C1CC(CN1CC2=CC=CC=C2C3=CC=CO3)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)C(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2C3=CC=CO3)N

> <PUBCHEM_CACTVS_TPSA>
62.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
341.21032711

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
12  15  8
12  16  8
15  19  8
16  21  8
19  22  8
2  20  8
2  25  8
20  23  8
21  22  8
23  24  8
24  25  8
7  4  5
6  11  5

$$$$