67655504
  -OEChem-04262411032D

 55 56  0     0  0  0  0  0  0999 V2000
    3.0000   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    7.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3800   -7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6200   -7.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   -6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5422    3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9407    4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9841    7.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5856    6.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    6.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    7.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    7.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  2  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6 28  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 40  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 42  1  0  0  0  0
  9 15  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 26  2  0  0  0  0
 20 43  1  0  0  0  0
 21 24  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67655504

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
584

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADEzhmgY//pLIFACoAjf3fAKCiCk1IiAJ2CF+bNmNJnLEtZ+OOSjs1RPK6ae0QAAKAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-[4-[[2-(tert-butoxycarbonylamino)pyridine-4-carbonyl]amino]phenoxy]acetate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[4-[[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pyridinyl]-oxomethyl]amino]phenoxy]acetic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carbonyl]amino]phenoxy]acetate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carbonyl]amino]phenoxy]acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]carbonylamino]phenoxy]ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[4-[[2-(tert-butoxycarbonylamino)isonicotinoyl]amino]phenoxy]acetic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H25N3O6/c1-5-28-18(25)13-29-16-8-6-15(7-9-16)23-19(26)14-10-11-22-17(12-14)24-20(27)30-21(2,3)4/h6-12H,5,13H2,1-4H3,(H,23,26)(H,22,24,27)

> <PUBCHEM_IUPAC_INCHIKEY>
ZUAJAGYXEOLMFG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
415.17433553

> <PUBCHEM_MOLECULAR_FORMULA>
C21H25N3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
415.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC(=O)OC(C)(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC(=NC=C2)NC(=O)OC(C)(C)C

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.17433553

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
15  17  8
16  17  8
16  20  8
18  21  8
18  22  8
20  26  8
21  24  8
22  25  8
23  24  8
23  25  8
9  15  8
9  26  8

$$$$