
 SCHEMBL14060375

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.6215    1.6166    1.1419 C   0  0  0  0  0
   -1.9746    2.2056    0.7270 C   0  0  0  0  0
   -2.9027    2.0303    1.8598 N   0  0  0  0  0
   -2.1576    1.5874    2.9695 C   0  0  0  0  0
   -2.5726    1.3648    4.2716 C   0  0  0  0  0
   -1.6328    0.9176    5.2058 C   0  0  0  0  0
   -0.3001    0.6956    4.8306 C   0  0  0  0  0
    0.1101    0.9159    3.5155 C   0  0  0  0  0
   -0.8301    1.3632    2.5991 C   0  0  0  0  0
   -4.2529    2.3443    1.8638 C   0  0  0  0  0
   -4.9854    2.2681    2.8546 O   0  0  0  0  0
   -4.8680    2.7756    0.5231 C   0  0  0  0  0
   -4.2967    4.0416    0.0174 N   0  0  0  0  0
   -4.5878    5.1753    0.9209 C   0  0  0  0  0
   -4.0268    6.4843    0.3419 C   0  0  0  0  0
   -4.5745    6.7616   -0.9545 O   0  0  0  0  0
   -4.2882    5.6819   -1.8637 C   0  0  0  0  0
   -4.8491    4.3474   -1.3195 C   0  0  0  0  0
   -4.9153    6.0181   -3.2219 C   0  0  0  0  0
   -4.6290    4.9648   -4.1456 O   0  0  0  0  0
   -5.5044    4.8314   -5.1868 C   0  0  0  0  0
   -5.6161    3.5420   -5.7093 C   0  0  0  0  0
   -6.4899    3.2934   -6.7654 C   0  0  0  0  0
   -7.2431    4.3275   -7.3169 C   0  0  0  0  0
   -7.1122    5.6214   -6.8130 C   0  0  0  0  0
   -6.2390    5.8754   -5.7518 C   0  0  0  0  0
   -6.6440    1.6965   -7.3887 Cl  0  0  0  0  0
   -0.4259    0.6776    0.6144 H   0  0  0  0  0
    0.1943    2.3215    0.9562 H   0  0  0  0  0
   -2.3697    1.7228   -0.1723 H   0  0  0  0  0
   -1.8686    3.2784    0.5309 H   0  0  0  0  0
   -3.5982    1.5282    4.5832 H   0  0  0  0  0
   -1.9420    0.7382    6.2327 H   0  0  0  0  0
    0.4153    0.3439    5.5701 H   0  0  0  0  0
    1.1386    0.7338    3.2209 H   0  0  0  0  0
   -5.9548    2.8597    0.6544 H   0  0  0  0  0
   -4.6965    1.9607   -0.1911 H   0  0  0  0  0
   -4.1312    5.0122    1.9031 H   0  0  0  0  0
   -5.6718    5.2776    1.0599 H   0  0  0  0  0
   -4.2904    7.3207    0.9967 H   0  0  0  0  0
   -2.9328    6.4496    0.2713 H   0  0  0  0  0
   -3.1998    5.5961   -1.9855 H   0  0  0  0  0
   -5.9445    4.4086   -1.2630 H   0  0  0  0  0
   -4.5926    3.5346   -2.0087 H   0  0  0  0  0
   -4.4941    6.9585   -3.5980 H   0  0  0  0  0
   -5.9958    6.1610   -3.0855 H   0  0  0  0  0
   -5.0293    2.7341   -5.2810 H   0  0  0  0  0
   -7.9258    4.1334   -8.1396 H   0  0  0  0  0
   -7.6877    6.4342   -7.2486 H   0  0  0  0  0
   -6.1409    6.8953   -5.3920 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL14060375

>  <PubChem CID>
71061785

>  <Formula>
C21H23ClN2O3

>  <Molecular Weight>
386.876000

>  <IUPAC Name>
2-[(2R)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCOC(C3)COC4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCO[C@H](C3)COC4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H23ClN2O3/c22-17-5-3-6-18(12-17)27-15-19-13-23(10-11-26-19)14-21(25)24-9-8-16-4-1-2-7-20(16)24/h1-7,12,19H,8-11,13-15H2/t19-/m1/s1

>  <InChI Key>
APCQYPHUPXTFSO-LJQANCHMSA-N

