23540341
  -OEChem-05092408362D

 41 43  0     0  0  0  0  0  0999 V2000
    4.5981    0.1940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    2.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    0.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    2.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    3.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    3.5880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1317    0.2461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9136   -0.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    0.6313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.3840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3863    2.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0765    2.8480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5309    3.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3039    4.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    4.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 17  2  0  0  0  0
  4 25  1  0  0  0  0
  4 41  1  0  0  0  0
  5 25  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 22  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 26  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 23  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  2  0  0  0  0
 21 36  1  0  0  0  0
 22 25  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23540341

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
500

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgAACAAADAzhngY+zvMMFgCoAzT3TASCiCA3YiAI2CG/bNgOJvLEtbuHeSjmwBnY+Yfa2bOeAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2-ethoxycarbonyl-1-methyl-indol-7-yl)oxypyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(2-ethoxycarbonyl-1-methyl-7-indolyl)oxy]-2-pyridinecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-ethoxycarbonyl-1-methylindol-7-yl)oxypyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
4-(2-ethoxycarbonyl-1-methylindol-7-yl)oxypyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-ethoxycarbonyl-1-methyl-indol-7-yl)oxypyridine-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-carbethoxy-1-methyl-indol-7-yl)oxypicolinic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H16N2O5/c1-3-24-18(23)14-9-11-5-4-6-15(16(11)20(14)2)25-12-7-8-19-13(10-12)17(21)22/h4-10H,3H2,1-2H3,(H,21,22)

> <PUBCHEM_IUPAC_INCHIKEY>
CSIYGFOQEAVBSP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
340.10592162

> <PUBCHEM_MOLECULAR_FORMULA>
C18H16N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
340.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=CC2=C(N1C)C(=CC=C2)OC3=CC(=NC=C3)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=CC2=C(N1C)C(=CC=C2)OC3=CC(=NC=C3)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
90.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.10592162

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  11  8
12  15  8
13  16  8
15  16  8
18  20  8
18  21  8
20  22  8
21  24  8
6  10  8
6  8  8
7  22  8
7  24  8
8  12  8
8  9  8
9  11  8
9  13  8

$$$$