22469
  -OEChem-04232409402D

 36 38  0     0  0  0  0  0  0999 V2000
    8.3374    0.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3987   -1.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    0.2117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.2117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.3453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -0.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422    1.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.1616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    0.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    0.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408   -2.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.8764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -0.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088   -1.8764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8126   -1.3465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2873   -0.6093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5502   -0.1346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2105    1.7152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8094    2.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297    2.0938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 20  1  0  0  0  0
  2 18  2  0  0  0  0
  3 20  2  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 12  2  0  0  0  0
 10 24  1  0  0  0  0
 11 15  2  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 17  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22469

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgAEAAAADAiBmAAyyIIQAACIAiXSWACCAAAhAgAoiAAAZIgIICLAkZGEIAhghADIyAcQgMAOiAAAQAAQAAAQAACAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[acetyl(9H-fluoren-2-yl)amino] acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [acetyl(9H-fluoren-2-yl)amino] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[acetyl(9<I>H</I>-fluoren-2-yl)amino] acetate

> <PUBCHEM_IUPAC_NAME>
[acetyl(9H-fluoren-2-yl)amino] acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[ethanoyl(9H-fluoren-2-yl)amino] ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [acetyl(9H-fluoren-2-yl)amino] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H15NO3/c1-11(19)18(21-12(2)20)15-7-8-17-14(10-15)9-13-5-3-4-6-16(13)17/h3-8,10H,9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
NFOMHWALMFWNAQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
281.10519334

> <PUBCHEM_MOLECULAR_FORMULA>
C17H15NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
281.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N(C1=CC2=C(C=C1)C3=CC=CC=C3C2)OC(=O)C

> <PUBCHEM_CACTVS_TPSA>
46.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
281.10519334

> <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
11  15  8
12  15  8
13  16  8
14  17  8
16  17  8
6  10  8
6  7  8
7  11  8
8  13  8
8  9  8
9  14  8

$$$$