2997975
  -OEChem-05072412032D

 44 46  0     1  0  0  0  0  0999 V2000
    7.9128    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7788   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -1.2445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -1.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5793    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7822    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0478    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2419    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -1.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -0.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  2  0  0  0  0
  3 13  2  0  0  0  0
  4 24  1  0  0  0  0
  4 27  1  0  0  0  0
  5 23  2  0  0  0  0
  6 14  1  0  0  0  0
  6 23  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 17  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  2  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2997975

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
523

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAAAB0AAAHgAQAAAADBThmAYwDILABECIAqnSmAKCCAAkIAAIiIHODMgOJjKEtT+HOSjkxhGYqYeY3+KOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2-oxo-1,2-diphenyl-ethyl) 2-(furan-2-carbonylamino)acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-furanyl(oxo)methyl]amino]acetic acid (2-oxo-1,2-diphenylethyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2-oxo-1,2-diphenylethyl) 2-(furan-2-carbonylamino)acetate

> <PUBCHEM_IUPAC_NAME>
(2-oxo-1,2-diphenylethyl) 2-(furan-2-carbonylamino)acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2-oxidanylidene-1,2-diphenyl-ethyl) 2-(furan-2-ylcarbonylamino)ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-furoylamino)acetic acid desyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H17NO5/c23-18(14-22-21(25)17-12-7-13-26-17)27-20(16-10-5-2-6-11-16)19(24)15-8-3-1-4-9-15/h1-13,20H,14H2,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
GIOLMPVSCOFDMW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
363.11067264

> <PUBCHEM_MOLECULAR_FORMULA>
C21H17NO5

> <PUBCHEM_MOLECULAR_WEIGHT>
363.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)CNC(=O)C3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
85.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
363.11067264

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  17  8
10  18  8
11  15  8
12  16  8
15  19  8
16  19  8
17  20  8
18  21  8
20  22  8
21  22  8
24  25  8
25  26  8
26  27  8
4  24  8
4  27  8
7  9  3
8  11  8
8  12  8

$$$$