247582
  -OEChem-06191308552D

 41 43  0     1  0  0  0  0  0999 V2000
    2.4608    0.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    1.6282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3307    1.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -0.0191    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0685   -0.4258    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4858   -0.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9640   -1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9858   -1.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118    0.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8006   -0.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9345    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6666    0.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8006    1.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6666    1.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5605   -0.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5605    1.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4666    0.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4666    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1986    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0240    0.4230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710   -0.3014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9842   -1.1266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0288   -2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840   -1.4203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4194   -1.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774   -2.2179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1281    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8139    1.4609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9953    1.1467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8006   -1.0458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3976    1.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8006    2.1942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5534   -1.0804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5533    2.2288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0023   -0.2587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8907    0.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7367    0.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5065    1.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 35  1  0  0  0  0
  2 11  2  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 33  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
247582

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
394

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAADBUAAAGgAACAAADwSAmAIyDsAABgCIAiDSCAACCAAgIAAIiAEGCIgMJjKEMRqAcCAkwBEIqAeIyPCP4AADAAAQAADAAAYAACAAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(6-methoxy-2-naphthyl)-1-methyl-cyclopentanecarboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-(6-methoxy-2-naphthalenyl)-1-methyl-1-cyclopentanecarboxylic acid

> <PUBCHEM_IUPAC_NAME>
2-(6-methoxynaphthalen-2-yl)-1-methylcyclopentane-1-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(6-methoxynaphthalen-2-yl)-1-methyl-cyclopentane-1-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(6-methoxy-2-naphthyl)-1-methyl-cyclopentanecarboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20O3/c1-18(17(19)20)9-3-4-16(18)14-6-5-13-11-15(21-2)8-7-12(13)10-14/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
KULGJFWFGLAJQL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
284.141245

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20O3

> <PUBCHEM_MOLECULAR_WEIGHT>
284.3496

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC1C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCCC1C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
46.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.141245

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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
13  15  8
14  16  8
14  17  8
15  16  8
16  18  8
17  19  8
18  20  8
19  20  8
4  11  3
5  22  3
9  12  8
9  13  8

$$$$