
 CHEMBL476341

 55 57  0  0  0  0  0  0  0  0999 V2000
    5.0161    1.3567    5.3630 C   0  0  0  0  0
    6.0795    2.4346    5.5186 C   0  0  0  0  0
    7.0539    2.4544    4.3446 C   0  0  0  0  0
    6.4130    2.9123    3.0464 C   0  0  0  0  0
    5.4095    3.6143    2.9919 O   0  0  0  0  0
    7.1022    2.4955    1.9283 N   0  0  0  0  0
    6.7102    2.9026    0.5924 C   0  0  0  0  0
    7.2132    4.2975    0.1979 C   0  0  0  0  0
    8.7300    4.3836    0.1547 C   0  0  0  0  0
    9.5110    4.7847    1.2732 C   0  0  0  0  0
    8.9690    5.2098    2.5089 C   0  0  0  0  0
    9.7692    5.5531    3.6033 C   0  0  0  0  0
   11.1492    5.4895    3.4783 C   0  0  0  0  0
   11.7174    5.1049    2.2614 C   0  0  0  0  0
   10.9182    4.7567    1.1589 C   0  0  0  0  0
   11.5182    4.3805   -0.0556 C   0  0  0  0  0
   10.7654    3.9998   -1.1773 C   0  0  0  0  0
    9.3705    3.9940   -1.0406 C   0  0  0  0  0
   11.4189    3.6294   -2.4524 C   0  0  0  0  0
   12.5838    2.8385   -2.4782 C   0  0  0  0  0
   13.2302    2.5120   -3.6825 C   0  0  0  0  0
   12.6884    2.9668   -4.8897 C   0  0  0  0  0
   11.5311    3.7400   -4.8917 C   0  0  0  0  0
   10.9088    4.0719   -3.6856 C   0  0  0  0  0
   14.4919    1.6903   -3.6839 C   0  0  0  0  0
   14.2864    0.4478   -4.3426 O   0  0  0  0  0
    9.0748    5.9090    4.7253 O   0  0  0  0  0
    9.8288    6.4299    5.8115 C   0  0  0  0  0
    4.3729    1.3298    6.2479 H   0  0  0  0  0
    5.4736    0.3693    5.2449 H   0  0  0  0  0
    4.3803    1.5448    4.4921 H   0  0  0  0  0
    6.6413    2.2423    6.4400 H   0  0  0  0  0
    5.5962    3.4111    5.6354 H   0  0  0  0  0
    7.4967    1.4607    4.2084 H   0  0  0  0  0
    7.8696    3.1507    4.5694 H   0  0  0  0  0
    8.0367    2.1248    2.0507 H   0  0  0  0  0
    5.6161    2.8840    0.5316 H   0  0  0  0  0
    7.0961    2.1421   -0.0951 H   0  0  0  0  0
    6.7935    5.0667    0.8534 H   0  0  0  0  0
    6.8215    4.5397   -0.7990 H   0  0  0  0  0
    7.8931    5.2852    2.6450 H   0  0  0  0  0
   11.8121    5.7321    4.3017 H   0  0  0  0  0
   12.8022    5.0735    2.1833 H   0  0  0  0  0
   12.6043    4.4052   -0.1322 H   0  0  0  0  0
    8.7567    3.6723   -1.8815 H   0  0  0  0  0
   12.9978    2.4655   -1.5424 H   0  0  0  0  0
   13.1724    2.7218   -5.8334 H   0  0  0  0  0
   11.1169    4.0968   -5.8316 H   0  0  0  0  0
   10.0226    4.7029   -3.7192 H   0  0  0  0  0
   14.8273    1.4783   -2.6635 H   0  0  0  0  0
   15.2968    2.2325   -4.1912 H   0  0  0  0  0
   13.3322    0.2608   -4.3253 H   0  0  0  0  0
    9.1236    6.7321    6.5922 H   0  0  0  0  0
   10.3947    7.3179    5.5108 H   0  0  0  0  0
   10.4873    5.6650    6.2356 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  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 18  1  0  0  0
  9 10  2  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
 25 26  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 28 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL476341

>  <PubChem CID>
12985495

>  <Formula>
C24H27NO3

>  <Molecular Weight>
377.484000

>  <IUPAC Name>
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]butanamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)C3=CC(=CC=C3)CO)OC

>  <Isomeric SMILES>
CCCC(=O)NCCC1=C2C=C(C=CC2=CC(=C1)C3=CC(=CC=C3)CO)OC

>  <InChI Std. ID>
InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)

>  <InChI Key>
ABRICCKMWDDVJT-UHFFFAOYSA-N

