60158990
  -OEChem-04192418192D

 43 46  0     1  0  0  0  0  0999 V2000
    4.5731    0.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -0.9850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0450   -2.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2402   -3.4541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -0.1190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731    0.7470    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1589    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731   -0.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5731   -0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   -1.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0731   -1.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5731   -2.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731   -2.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1480   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8104    1.3198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    1.1854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7205    0.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3044   -0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    1.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    1.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.0618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    3.5367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    2.8464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    2.8464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    3.5367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.9291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.9291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3831    0.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8831   -0.4481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4531   -1.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2631   -3.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3398   -3.6386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   -2.9203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 15  2  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60158990

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
421

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAABgASAAAAAwYAAAAAAAAEgBAAAAHgAQAAAADhyhkAMwzoLABACIACRCWACCCAAhIgAIiAAG7IkdJiLEsZusMCpm1BlO6Aew0OMPAEAAAgAAQAAAgAAEAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
spiro[3.5]nonan-3-yl N-(1,3-benzodioxol-5-yl)carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1,3-benzodioxol-5-yl)carbamic acid 3-spiro[3.5]nonanyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
spiro[3.5]nonan-3-yl <I>N</I>-(1,3-benzodioxol-5-yl)carbamate

> <PUBCHEM_IUPAC_NAME>
spiro[3.5]nonan-3-yl N-(1,3-benzodioxol-5-yl)carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
spiro[3.5]nonan-3-yl N-(1,3-benzodioxol-5-yl)carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,3-benzodioxol-5-yl)carbamic acid spiro[3.5]nonan-3-yl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H21NO4/c19-16(18-12-4-5-13-14(10-12)21-11-20-13)22-15-6-9-17(15)7-2-1-3-8-17/h4-5,10,15H,1-3,6-9,11H2,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
RMXHQHGSNUFPFF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
303.14705815

> <PUBCHEM_MOLECULAR_FORMULA>
C17H21NO4

> <PUBCHEM_MOLECULAR_WEIGHT>
303.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2(CC1)CCC2OC(=O)NC3=CC4=C(C=C3)OCO4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2(CC1)CCC2OC(=O)NC3=CC4=C(C=C3)OCO4

> <PUBCHEM_CACTVS_TPSA>
56.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.14705815

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
7  1  3
16  17  8
16  18  8
17  19  8
18  21  8
19  20  8
20  21  8

$$$$