
 CHEMBL1097496

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.6443    1.4042   -3.6487 C   0  0  0  0  0
    3.0483    1.2223   -3.1392 C   0  0  0  0  0
    3.9805    0.9341   -3.8817 O   0  0  0  0  0
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    4.1359   14.5572   -5.4277 C   0  0  0  0  0
    4.1021   13.2236   -5.0683 C   0  0  0  0  0
    3.0451   12.2299   -5.4178 C   0  0  0  0  0
    2.2618   11.7453   -4.1940 C   0  0  0  0  0
    1.1931   10.8283   -4.5452 N   0  0  0  0  0
    1.4505    9.5168   -4.8713 C   0  0  0  0  0
    2.5783    9.0368   -4.9085 O   0  0  0  0  0
    0.2258    8.7109   -5.2096 C   0  0  0  0  0
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    1.4485    0.6636   -4.4295 H   0  0  0  0  0
    1.5362    2.4106   -4.0605 H   0  0  0  0  0
    2.3939    1.7494   -1.2442 H   0  0  0  0  0
    4.9648    0.4075   -1.5582 H   0  0  0  0  0
    4.2633    1.0617   -0.0685 H   0  0  0  0  0
    4.7280    3.3678   -0.8772 H   0  0  0  0  0
    5.5493    2.7493   -2.3054 H   0  0  0  0  0
    6.9900    0.3763   -0.8910 H   0  0  0  0  0
    9.1272    0.2432    0.2650 H   0  0  0  0  0
   10.1341    2.2411    1.2742 H   0  0  0  0  0
    5.7349    5.1384   -0.5035 H   0  0  0  0  0
    9.0499    6.7950    1.6381 H   0  0  0  0  0
   10.0999    4.6113    1.7525 H   0  0  0  0  0
    8.1863    8.3429   -0.4316 H   0  0  0  0  0
    7.9321    8.6248    1.3223 H   0  0  0  0  0
    5.7647    9.7077    0.8512 H   0  0  0  0  0
    5.9790    9.4816   -0.8667 H   0  0  0  0  0
    7.8203   11.1334    0.9634 H   0  0  0  0  0
    6.5444   11.7871   -0.0624 H   0  0  0  0  0
    9.0261   10.3070   -1.0794 H   0  0  0  0  0
    8.8405   12.0356   -1.0540 H   0  0  0  0  0
    5.4209   10.9204   -3.6849 H   0  0  0  0  0
    7.6565   15.3988   -3.6433 H   0  0  0  0  0
    8.7165   13.4603   -2.5267 H   0  0  0  0  0
    3.4764   15.1920   -6.0035 H   0  0  0  0  0
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    1.8009   12.5905   -3.6708 H   0  0  0  0  0
    2.9248   11.2384   -3.4839 H   0  0  0  0  0
    0.2440   11.1767   -4.5744 H   0  0  0  0  0
   -0.6905    9.2174   -4.8942 H   0  0  0  0  0
    0.2786    7.7480   -4.6941 H   0  0  0  0  0
    0.1902    8.5501   -6.2902 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1097496

>  <PubChem CID>
9870683

>  <Formula>
C30H34N2O5

>  <Molecular Weight>
502.611000

>  <IUPAC Name>
N-[2-[7-[4-[[3-(2-acetamidoethyl)-1-benzofuran-5-yl]oxy]butoxy]naphthalen-1-yl]ethyl]acetamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC4=C(C=C3)OC=C4CCNC(=O)C

>  <Isomeric SMILES>
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCCOC3=CC4=C(C=C3)OC=C4CCNC(=O)C

>  <InChI Std. ID>
InChI=1S/C30H34N2O5/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)

>  <InChI Key>
BIXNYPIXYPNFDG-UHFFFAOYSA-N

