208902
  -OEChem-04252423532D

 40 42  0     1  0  0  0  0  0999 V2000
    2.5836    3.8329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692   -2.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800   -1.3828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051    1.0563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3958    2.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5938    0.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9989    1.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372    0.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    2.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5836    2.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    3.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    3.5281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2479   -0.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    4.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8907   -2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2229   -3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -4.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0058    1.2155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4650    0.3468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1834    0.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5354    1.5503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3643    2.3619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5547    0.7999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    0.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0462    1.9142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    1.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988    3.8381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304   -1.1264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7948   -0.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    3.4429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5391    2.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3958    4.6481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9734   -1.2549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8403   -2.5897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759   -3.3696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -4.2208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261   -4.6175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1228   -3.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 17  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  1  0  0  0
  4 20  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
208902

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
331

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAaIAAAAwAAAAAAAAAGgBAAAAHgAQAAAADQThmAYyBoLABACIAiFSEAACCAAgIAAIiIEOCIgMJiKEsRqGOCCk1hGIqAeQwPAOoAADAAAYAABAAAYAADAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-[(8<I>S</I>)-2,6,7,8-tetrahydro-1<I>H</I>-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e]benzofuran-8-yl]ethyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YLXDSYKOBKBWJQ-LBPRGKRZSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
259.157228913

> <PUBCHEM_MOLECULAR_FORMULA>
C16H21NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
259.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)NCC[C@@H]1CCC2=C1C3=C(C=C2)OCC3

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.157228913

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
10  12  8
12  16  8
13  16  8
4  9  5
5  10  8
5  8  8
8  13  8

$$$$