
 CHEMBL3792556

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.7154    1.1102   -0.4160 C   0  0  0  0  0
   -0.7889    1.1377   -0.1229 C   0  0  0  0  0
   -1.4390   -0.0562   -0.5730 O   0  0  0  0  0
   -0.8614   -1.2607   -0.0225 C   0  0  0  0  0
    0.6763   -1.2802   -0.2196 C   0  0  0  0  0
    1.4150   -0.0561    0.1481 N   0  0  0  0  0
    1.7060    0.0765    1.5771 C   0  0  0  0  0
    2.8530   -0.8140    2.0097 C   0  0  0  0  0
    2.6253   -2.0232    2.6841 C   0  0  0  0  0
    3.6913   -2.8638    3.0539 C   0  0  0  0  0
    3.4686   -4.0879    3.7065 C   0  0  0  0  0
    4.5377   -4.9124    4.0627 C   0  0  0  0  0
    5.8427   -4.5224    3.7774 C   0  0  0  0  0
    6.0815   -3.3099    3.1292 C   0  0  0  0  0
    5.0164   -2.4731    2.7581 C   0  0  0  0  0
    5.2408   -1.2607    2.0898 C   0  0  0  0  0
    4.1712   -0.4461    1.7124 C   0  0  0  0  0
   -1.3150   -1.4890    1.4316 C   0  0  0  0  0
   -2.6523   -2.0165    1.4235 O   0  0  0  0  0
   -3.1497   -2.3662    2.6505 C   0  0  0  0  0
   -4.0183   -3.4601    2.6583 C   0  0  0  0  0
   -4.6093   -3.8840    3.8502 C   0  0  0  0  0
   -4.3466   -3.2031    5.0374 C   0  0  0  0  0
   -3.4947   -2.0998    5.0299 C   0  0  0  0  0
   -2.8978   -1.6803    3.8377 C   0  0  0  0  0
    0.8518    1.0741   -1.5046 H   0  0  0  0  0
    1.1839    2.0451   -0.0872 H   0  0  0  0  0
   -1.2463    1.9748   -0.6612 H   0  0  0  0  0
   -0.9874    1.2987    0.9410 H   0  0  0  0  0
   -1.2768   -2.0751   -0.6284 H   0  0  0  0  0
    1.1091   -2.1703    0.2496 H   0  0  0  0  0
    0.8528   -1.4188   -1.2954 H   0  0  0  0  0
    0.8314   -0.0980    2.2092 H   0  0  0  0  0
    2.0158    1.1065    1.8023 H   0  0  0  0  0
    1.6063   -2.3244    2.9139 H   0  0  0  0  0
    2.4571   -4.4127    3.9361 H   0  0  0  0  0
    4.3499   -5.8594    4.5625 H   0  0  0  0  0
    6.6760   -5.1625    4.0552 H   0  0  0  0  0
    7.1076   -3.0231    2.9109 H   0  0  0  0  0
    6.2522   -0.9452    1.8456 H   0  0  0  0  0
    4.3699    0.4781    1.1742 H   0  0  0  0  0
   -1.3108   -0.5458    1.9815 H   0  0  0  0  0
   -0.6586   -2.2180    1.9199 H   0  0  0  0  0
   -4.2340   -3.9867    1.7317 H   0  0  0  0  0
   -5.2800   -4.7395    3.8493 H   0  0  0  0  0
   -4.8139   -3.5243    5.9642 H   0  0  0  0  0
   -3.3050   -1.5557    5.9521 H   0  0  0  0  0
   -2.2691   -0.7975    3.8638 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  2  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3792556

>  <PubChem CID>
127053217

>  <Formula>
C22H23NO2

>  <Molecular Weight>
333.431000

>  <IUPAC Name>
(2S)-4-(naphthalen-2-ylmethyl)-2-(phenoxymethyl)morpholine

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1COC(CN1CC2=CC3=CC=CC=C3C=C2)COC4=CC=CC=C4

>  <Isomeric SMILES>
C1CO[C@@H](CN1CC2=CC3=CC=CC=C3C=C2)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H23NO2/c1-2-8-21(9-3-1)25-17-22-16-23(12-13-24-22)15-18-10-11-19-6-4-5-7-20(19)14-18/h1-11,14,22H,12-13,15-17H2/t22-/m0/s1

>  <InChI Key>
ARGJPNQSHHVEBQ-QFIPXVFZSA-N

