
 ACMC-20dim2

 41 44  0  0  0  0  0  0  0  0999 V2000
    4.7673    0.4202   -0.7291 C   0  0  0  0  0
    5.1596    0.8567    0.6101 N   0  0  0  0  0
    3.9910    1.2030    1.4338 C   0  0  0  0  0
    3.2148    2.4211    0.9207 C   0  0  0  0  0
    4.1197    3.5659    0.5390 C   0  0  0  0  0
    5.5078    3.3644    0.3797 C   0  0  0  0  0
    6.1253    1.9887    0.6288 C   0  0  0  0  0
    7.3321    1.7726   -0.3116 C   0  0  0  0  0
    8.3227    2.9105   -0.1986 C   0  0  0  0  0
    7.8384    4.2316   -0.0189 C   0  0  0  0  0
    6.3633    4.4473    0.0519 C   0  0  0  0  0
    5.7556    5.6874   -0.2134 C   0  0  0  0  0
    4.3765    5.8889   -0.0855 C   0  0  0  0  0
    3.5626    4.8274    0.2940 C   0  0  0  0  0
    3.9535    7.1596   -0.3683 O   0  0  0  0  0
    2.6205    7.4865    0.0016 C   0  0  0  0  0
    8.8135    5.2357    0.1128 C   0  0  0  0  0
   10.1833    4.9501    0.0145 C   0  0  0  0  0
   10.6343    3.6596   -0.2075 C   0  0  0  0  0
    9.6993    2.6360   -0.3124 C   0  0  0  0  0
   11.0573    5.9976    0.1555 O   0  0  0  0  0
    8.4836    6.5410    0.3812 O   0  0  0  0  0
    5.6069   -0.0620   -1.2405 H   0  0  0  0  0
    4.4010    1.2356   -1.3614 H   0  0  0  0  0
    3.9824   -0.3431   -0.6707 H   0  0  0  0  0
    4.3316    1.3959    2.4603 H   0  0  0  0  0
    3.3146    0.3427    1.5126 H   0  0  0  0  0
    2.6197    2.1420    0.0426 H   0  0  0  0  0
    2.5183    2.7478    1.7024 H   0  0  0  0  0
    6.5217    2.0284    1.6553 H   0  0  0  0  0
    7.0238    1.7210   -1.3635 H   0  0  0  0  0
    7.8202    0.8233   -0.0569 H   0  0  0  0  0
    6.3549    6.5375   -0.5290 H   0  0  0  0  0
    2.4892    4.9492    0.3922 H   0  0  0  0  0
    2.4445    7.2983    1.0664 H   0  0  0  0  0
    1.8978    6.9481   -0.6199 H   0  0  0  0  0
    2.4779    8.5573   -0.1740 H   0  0  0  0  0
   11.6919    3.4302   -0.2884 H   0  0  0  0  0
   10.0413    1.6160   -0.4751 H   0  0  0  0  0
   11.9612    5.6507    0.0620 H   0  0  0  0  0
    9.3401    7.0093    0.4374 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 14  1  0  0  0
  5  6  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 20  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 17  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
ACMC-20dim2

>  <PubChem CID>
14659268

>  <Formula>
C18H19NO3

>  <Molecular Weight>
297.354000

>  <IUPAC Name>
2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

>  <XlogP>
2.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2=C3C1CC4=C(C3=CC(=C2)OC)C(=C(C=C4)O)O

>  <Isomeric SMILES>
CN1CCC2=C3C1CC4=C(C3=CC(=C2)OC)C(=C(C=C4)O)O

>  <InChI Std. ID>
InChI=1S/C18H19NO3/c1-19-6-5-11-7-12(22-2)9-13-16(11)14(19)8-10-3-4-15(20)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3

>  <InChI Key>
QGJWYJSOGNAUCY-UHFFFAOYSA-N

