49795520
  -OEChem-04252407342D

 58 61  0     1  0  0  0  0  0999 V2000
    5.7436    2.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   -0.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659   -4.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3825    2.7775    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.1919    1.2939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4166    2.5187    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1578    3.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1237    3.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6754    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2486    2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4507    2.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1146    2.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    1.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    2.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1146    3.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8466    2.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    4.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9671    0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8466    3.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406    2.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7406    4.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6467    2.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6467    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7424   -1.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4495   -1.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   -1.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1907   -2.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5176   -2.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2247   -3.0874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9973    4.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    3.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7226    3.9039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9633    4.3423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0766    1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8359    0.9539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2743    1.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8500    1.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6471    1.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6303    0.8555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6083    1.0892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    1.6575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5777    4.0875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9806    4.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0212   -0.5485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5848    0.0151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7334    1.6229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7334    4.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1824    2.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1824    4.1104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484   -1.7022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380   -0.9760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6291   -3.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9188   -2.5408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8395   -3.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4011   -4.4726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1605   -4.9110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 18  1  0  0  0  0
  2 24  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 12  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 16  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  2  0  0  0  0
 15 44  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 48  1  0  0  0  0
 21 23  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 52  1  0  0  0  0
 26 28  2  0  0  0  0
 26 53  1  0  0  0  0
 27 29  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
563

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAABYAAAAAAAwYMAAAAAAAADBVAAAHgAQAAAADIzhmAYyBsPABACIAiFSEACCCAAgIAAIiIGODIgOZjKEsTuXOCjk1hGYqAfUwMAOwQACAAAQAACCAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(2-naphthylmethyl)azetidine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(2-naphthalenylmethyl)-2-azetidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(naphthalen-2-ylmethyl)azetidine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-1-(2-naphthylmethyl)azetidine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H28N2O3/c1-25(24(28)26-14-16-30-23-11-9-22(29-2)10-12-23)13-15-27(25)18-19-7-8-20-5-3-4-6-21(20)17-19/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)

> <PUBCHEM_IUPAC_INCHIKEY>
DGINFDBYVSIEMX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
404.20999276

> <PUBCHEM_MOLECULAR_FORMULA>
C25H28N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)NCCOC4=CC=C(C=C4)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCN1CC2=CC3=CC=CC=C3C=C2)C(=O)NCCOC4=CC=C(C=C4)OC

> <PUBCHEM_CACTVS_TPSA>
50.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.20999276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
12  14  8
12  15  8
14  16  8
15  17  8
16  19  8
16  20  8
17  19  8
19  21  8
20  22  8
21  23  8
22  23  8
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8
6  9  3

$$$$