
 CHEMBL3793264

 45 47  0  0  0  0  0  0  0  0999 V2000
    6.2083    5.4165    6.1709 C   0  0  0  0  0
    5.3414    4.5800    5.4154 O   0  0  0  0  0
    5.4956    4.6025    4.0563 C   0  0  0  0  0
    6.4017    5.3886    3.3467 C   0  0  0  0  0
    6.4516    5.3181    1.9503 C   0  0  0  0  0
    5.6200    4.4389    1.2413 C   0  0  0  0  0
    4.6981    3.6679    1.9617 C   0  0  0  0  0
    4.6405    3.7495    3.3558 C   0  0  0  0  0
    5.6530    4.3568   -0.2732 C   0  0  0  0  0
    6.9904    4.5349   -0.8690 N   0  0  0  0  0
    7.9352    3.4524   -0.5151 C   0  0  0  0  0
    7.6562    2.1193   -1.2227 C   0  0  0  0  0
    7.6363    2.2811   -2.6448 O   0  0  0  0  0
    6.6578    3.2579   -3.0453 C   0  0  0  0  0
    6.9119    4.6171   -2.3479 C   0  0  0  0  0
    6.7390    3.3872   -4.5711 C   0  0  0  0  0
    5.7444    4.2961   -5.0438 O   0  0  0  0  0
    5.7012    4.4915   -6.3952 C   0  0  0  0  0
    6.4910    3.8760   -7.3585 C   0  0  0  0  0
    6.3964    4.1110   -8.6908 N   0  0  0  0  0
    5.4651    5.0071   -9.0811 C   0  0  0  0  0
    4.6289    5.6751   -8.2039 C   0  0  0  0  0
    4.7528    5.4096   -6.8415 C   0  0  0  0  0
    5.9529    5.2947    7.2278 H   0  0  0  0  0
    6.0639    6.4709    5.9143 H   0  0  0  0  0
    7.2536    5.1169    6.0433 H   0  0  0  0  0
    7.0839    6.0700    3.8441 H   0  0  0  0  0
    7.1602    5.9462    1.4129 H   0  0  0  0  0
    4.0148    2.9975    1.4463 H   0  0  0  0  0
    3.9221    3.1435    3.9016 H   0  0  0  0  0
    4.9900    5.1546   -0.6334 H   0  0  0  0  0
    5.2059    3.4077   -0.5914 H   0  0  0  0  0
    7.9838    3.2953    0.5674 H   0  0  0  0  0
    8.9365    3.7944   -0.8091 H   0  0  0  0  0
    8.4543    1.4079   -0.9875 H   0  0  0  0  0
    6.7116    1.6718   -0.8952 H   0  0  0  0  0
    5.6592    2.8870   -2.7818 H   0  0  0  0  0
    7.8731    5.0181   -2.6958 H   0  0  0  0  0
    6.1548    5.3538   -2.6427 H   0  0  0  0  0
    6.5828    2.3930   -5.0099 H   0  0  0  0  0
    7.7423    3.7340   -4.8534 H   0  0  0  0  0
    7.2558    3.1460   -7.1063 H   0  0  0  0  0
    5.4076    5.1781  -10.1529 H   0  0  0  0  0
    3.8973    6.3865   -8.5699 H   0  0  0  0  0
    4.1103    5.9189   -6.1291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
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 11 33  1  0  0  0
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 19 20  1  0  0  0
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 23 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3793264

>  <PubChem CID>
127027237

>  <Formula>
C18H22N2O3

>  <Molecular Weight>
314.385000

>  <IUPAC Name>
(2S)-4-[(4-methoxyphenyl)methyl]-2-(pyridin-3-yloxymethyl)morpholine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=C(C=C1)CN2CCOC(C2)COC3=CN=CC=C3

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CN2CCO[C@@H](C2)COC3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H22N2O3/c1-21-16-6-4-15(5-7-16)12-20-9-10-22-18(13-20)14-23-17-3-2-8-19-11-17/h2-8,11,18H,9-10,12-14H2,1H3/t18-/m0/s1

>  <InChI Key>
AUFHMMWSOHFEGS-SFHVURJKSA-N

