24881674
  -OEChem-05102410442D

 40 42  0     0  0  0  0  0  0999 V2000
    3.6750   -0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411   -1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3614   -2.6991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -3.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844   -3.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280   -3.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442   -5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155   -4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2721   -1.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071   -1.1006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100   -0.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8100    4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    5.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 19  1  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 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881674

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
332

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAAABQAAAHgAQAAAADCzBmAQwDoLABACIAiBCGAACCAAgIAAIiIAOCIkMJiKEsRqMMiAk1hEIqAeQwPAOgAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-phenylphenyl) N-cyclopentylcarbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-cyclopentylcarbamic acid (3-phenylphenyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-phenylphenyl) <I>N</I>-cyclopentylcarbamate

> <PUBCHEM_IUPAC_NAME>
(3-phenylphenyl) N-cyclopentylcarbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-phenylphenyl) N-cyclopentylcarbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-cyclopentylcarbamic acid (3-phenylphenyl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19NO2/c20-18(19-16-10-4-5-11-16)21-17-12-6-9-15(13-17)14-7-2-1-3-8-14/h1-3,6-9,12-13,16H,4-5,10-11H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
ASBRBCNHGJSXLE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
281.141578849

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
281.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)NC(=O)OC2=CC=CC(=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)NC(=O)OC2=CC=CC(=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.141578849

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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
10  14  8
11  12  8
11  15  8
13  17  8
13  18  8
14  16  8
15  16  8
17  19  8
18  20  8
19  21  8
20  21  8

$$$$