71032210
  -OEChem-04262418282D

 54 57  0     1  0  0  0  0  0999 V2000
    7.3516    1.7713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2996   -0.4745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6104   -0.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6726   -0.7894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0179    0.6906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6580    0.5848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6276   -1.1066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2674    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4617    1.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644   -0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9584   -0.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2456    0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9147    0.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6488    0.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2828   -1.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5546    1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2685   -0.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6057   -0.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722    0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9301    0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5328    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6016   -1.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2907   -1.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6331   -0.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3112   -1.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3224   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498   -1.0019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9543   -1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8756    1.6314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462    1.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806   -1.7280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5330    2.3661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406    1.8328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2072    0.8393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4480    0.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1149    0.8764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6617    1.3480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1392    2.0833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4039    2.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1396   -1.2637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1881   -2.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -2.0907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0923   -2.2709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7243   -1.9371    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2327   -1.4607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0270   -0.7316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -2.1432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1431   -2.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   -1.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5412   -1.1124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -1.9882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4588   -1.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 20  1  0  0  0  0
  2 27  1  0  0  0  0
  3 25  1  0  0  0  0
  3 48  1  0  0  0  0
 28  4  1  1  0  0  0
  4 30  1  0  0  0  0
  5 27  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 25  2  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 29 51  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71032210

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
776

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QIAAAAAAAFix8AAAHgAACAAADBzhngYyzvMIFgCoAyXyXAKCgCAhIiAImCF+bNgJZubC8ZeWcAhm5hHK+QewwPAOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(12-ethyl-2-hydroxy-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl (2R)-2-methoxypropanoate

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2-methoxypropanoic acid (12-ethyl-2-hydroxy-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(12-ethyl-2-hydroxy-7-methyl-9-oxo-11<I>H</I>-indolizino[1,2-b]quinolin-8-yl)methyl (2<I>R</I>)-2-methoxypropanoate

> <PUBCHEM_IUPAC_NAME>
(12-ethyl-2-hydroxy-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl)methyl (2R)-2-methoxypropanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(12-ethyl-7-methyl-2-oxidanyl-9-oxidanylidene-11H-indolizino[1,2-b]quinolin-8-yl)methyl (2R)-2-methoxypropanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-methoxypropionic acid (12-ethyl-2-hydroxy-9-keto-7-methyl-11H-indolizino[1,2-b]quinolin-8-yl)methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N2O5/c1-5-15-16-9-14(26)6-7-19(16)24-21-17(15)10-25-20(21)8-12(2)18(22(25)27)11-30-23(28)13(3)29-4/h6-9,13,26H,5,10-11H2,1-4H3/t13-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
MYULIPOZVWFYAZ-CYBMUJFWSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
408.16852187

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N2O5

> <PUBCHEM_MOLECULAR_WEIGHT>
408.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC1=C2CN3C(=CC(=C(C3=O)COC(=O)C(C)OC)C)C2=NC4=C1C=C(C=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC1=C2CN3C(=CC(=C(C3=O)COC(=O)[C@@H](C)OC)C)C2=NC4=C1C=C(C=C4)O

> <PUBCHEM_CACTVS_TPSA>
89

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
408.16852187

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  15  8
12  13  8
13  19  8
13  21  8
14  16  8
15  18  8
16  18  8
19  24  8
21  25  8
24  26  8
25  26  8
28  4  5
6  10  8
6  14  8
7  11  8
7  19  8
8  11  8
8  12  8

$$$$