172287
  -OEChem-05092402272D

 43 45  0     1  0  0  0  0  0999 V2000
    2.8940   -5.7852    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2601    3.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.7148    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411    4.9762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601    3.2536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5691    2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    4.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    0.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289    5.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -2.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -3.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -4.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -5.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921   -5.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -5.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    3.8061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791    1.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355    2.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    3.6167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    4.4094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    5.0410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571    0.5248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5305    5.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3933    6.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5273    6.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367   -2.8929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   -2.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231   -3.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -3.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291   -5.5952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -6.4052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3 10  2  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  2  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 40  1  0  0  0  0
 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
172287

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
415

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgIQAAAADB7hmCYyzoPABACIAiRCWACCCAAhJwAIiIAObogOJiLF85uPOCjk1hHY6AewwCAOAEAAIAAAAAAAgABAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5R)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)oxazolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(5R)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-2-oxazolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>R</I>)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_NAME>
(5R)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5R)-3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5R)-3-[4-(3-chlorobenzyl)oxyphenyl]-5-(methylaminomethyl)oxazolidin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3/t17-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KYXSTSXVEXKFJI-QGZVFWFLSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
346.1084202

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
346.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC[C@@H]1CN(C(=O)O1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
50.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
346.1084202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
11  12  8
11  13  8
12  14  8
13  15  8
14  16  8
15  16  8
19  20  8
19  21  8
20  22  8
21  23  8
22  24  8
23  24  8
7  9  6

$$$$