
 CHEMBL586037

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.4821    0.4495    3.6308 C   0  0  0  0  0
    0.8866    0.7661    2.3353 C   0  0  0  0  0
    2.1421    0.3636    1.8769 C   0  0  0  0  0
    3.0076   -0.3544    2.7132 C   0  0  0  0  0
    2.5890   -0.6731    4.0119 C   0  0  0  0  0
    1.3322   -0.2706    4.4680 C   0  0  0  0  0
    4.3622   -0.7843    2.2147 C   0  0  0  0  0
    4.3435   -2.1620    1.5521 C   0  0  0  0  0
    5.6668   -2.4952    1.0931 O   0  0  0  0  0
    5.9909   -2.0470   -0.1536 C   0  0  0  0  0
    5.2318   -1.4467   -0.9062 O   0  0  0  0  0
    7.4529   -2.3347   -0.4756 C   0  0  0  0  0
    7.6858   -3.7300   -0.9182 N   0  0  0  0  0
    7.0904   -3.9419   -2.2569 C   0  0  0  0  0
    6.9329   -5.3949   -2.6463 C   0  0  0  0  0
    5.8993   -6.1617   -2.0895 C   0  0  0  0  0
    5.7139   -7.4907   -2.4738 C   0  0  0  0  0
    6.5692   -8.0726   -3.4070 C   0  0  0  0  0
    7.6074   -7.3254   -3.9597 C   0  0  0  0  0
    7.7843   -5.9908   -3.5877 C   0  0  0  0  0
    9.1418   -3.9885   -0.9397 C   0  0  0  0  0
    9.5345   -5.3367   -0.3765 C   0  0  0  0  0
    9.2302   -5.6709    0.9533 C   0  0  0  0  0
    9.6862   -6.8716    1.5276 C   0  0  0  0  0
    9.4134   -7.1952    2.8673 C   0  0  0  0  0
    9.8891   -8.3832    3.4266 C   0  0  0  0  0
   10.6375   -9.2655    2.6536 C   0  0  0  0  0
   10.9138   -8.9612    1.3201 C   0  0  0  0  0
   10.4487   -7.7663    0.7456 C   0  0  0  0  0
   10.7355   -7.4392   -0.5872 C   0  0  0  0  0
   10.2928   -6.2331   -1.1371 C   0  0  0  0  0
   -0.4953    0.7638    3.9873 H   0  0  0  0  0
    0.2246    1.3276    1.6814 H   0  0  0  0  0
    2.4436    0.6182    0.8625 H   0  0  0  0  0
    3.2407   -1.2320    4.6794 H   0  0  0  0  0
    1.0163   -0.5175    5.4784 H   0  0  0  0  0
    5.0810   -0.7863    3.0448 H   0  0  0  0  0
    4.7526   -0.0326    1.5169 H   0  0  0  0  0
    3.6151   -2.2179    0.7337 H   0  0  0  0  0
    4.0558   -2.9290    2.2802 H   0  0  0  0  0
    8.0100   -2.1174    0.4456 H   0  0  0  0  0
    7.7955   -1.6093   -1.2244 H   0  0  0  0  0
    7.6540   -3.4005   -3.0298 H   0  0  0  0  0
    6.0795   -3.5174   -2.3000 H   0  0  0  0  0
    5.2290   -5.7188   -1.3564 H   0  0  0  0  0
    4.9029   -8.0708   -2.0420 H   0  0  0  0  0
    6.4276   -9.1092   -3.7003 H   0  0  0  0  0
    8.2786   -7.7825   -4.6815 H   0  0  0  0  0
    8.5949   -5.4207   -4.0339 H   0  0  0  0  0
    9.6817   -3.2571   -0.3206 H   0  0  0  0  0
    9.5627   -3.8483   -1.9444 H   0  0  0  0  0
    8.6441   -4.9747    1.5500 H   0  0  0  0  0
    8.8307   -6.5179    3.4866 H   0  0  0  0  0
    9.6745   -8.6173    4.4658 H   0  0  0  0  0
   11.0079  -10.1908    3.0870 H   0  0  0  0  0
   11.5009   -9.6617    0.7310 H   0  0  0  0  0
   11.3184   -8.1158   -1.2069 H   0  0  0  0  0
   10.5521   -6.0003   -2.1667 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 21  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL586037

>  <PubChem CID>
44473973

>  <Formula>
C28H27NO2

>  <Molecular Weight>
409.529000

>  <IUPAC Name>
2-phenylethyl 2-[benzyl(naphthalen-2-ylmethyl)amino]acetate

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CCOC(=O)CN(CC2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCOC(=O)CN(CC2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C28H27NO2/c30-28(31-18-17-23-9-3-1-4-10-23)22-29(20-24-11-5-2-6-12-24)21-25-15-16-26-13-7-8-14-27(26)19-25/h1-16,19H,17-18,20-22H2

>  <InChI Key>
GFWZDCDYYKHQLU-UHFFFAOYSA-N

