
 CHEMBL368457

 48 50  0  0  0  0  0  0  0  0999 V2000
    4.3472    7.6881   -1.7928 C   0  0  0  0  0
    5.3025    6.4812   -1.7180 C   0  0  0  0  0
    5.9518    6.2937   -3.1001 C   0  0  0  0  0
    6.3850    6.7853   -0.6689 C   0  0  0  0  0
    4.4742    5.3232   -1.3362 N   0  0  0  0  0
    5.1941    4.0662   -1.0909 C   0  0  0  0  0
    4.2223    2.8845   -0.8997 C   0  0  0  0  0
    3.3416    3.0324    0.3444 C   0  0  0  0  0
    2.6074    1.8063    0.5042 O   0  0  0  0  0
    2.4153    1.5710    1.8681 N   0  0  0  0  0
    1.7624    0.4763    2.1053 C   0  0  0  0  0
    1.5101    0.0086    3.4871 C   0  0  0  0  0
    1.8547    0.6029    4.6870 C   0  0  0  0  0
    1.5036   -0.0690    5.8590 C   0  0  0  0  0
    0.8303   -1.3034    5.8032 C   0  0  0  0  0
    0.4923   -1.8860    4.5752 C   0  0  0  0  0
    0.8370   -1.2182    3.4111 C   0  0  0  0  0
    0.6180   -1.5527    2.0217 C   0  0  0  0  0
   -0.0183   -2.6482    1.4574 C   0  0  0  0  0
   -0.1211   -2.7147    0.0650 C   0  0  0  0  0
    0.4062   -1.6947   -0.7440 C   0  0  0  0  0
    1.0536   -0.5931   -0.1772 C   0  0  0  0  0
    1.1574   -0.5391    1.2020 C   0  0  0  0  0
    3.4070    2.7565   -2.0800 O   0  0  0  0  0
    3.8540    7.8686   -0.8306 H   0  0  0  0  0
    3.5661    7.5358   -2.5463 H   0  0  0  0  0
    4.8874    8.6031   -2.0615 H   0  0  0  0  0
    5.2041    6.0463   -3.8618 H   0  0  0  0  0
    6.7060    5.4999   -3.0972 H   0  0  0  0  0
    6.4559    7.2125   -3.4224 H   0  0  0  0  0
    5.9508    6.8918    0.3324 H   0  0  0  0  0
    6.9047    7.7225   -0.9024 H   0  0  0  0  0
    7.1468    5.9990   -0.6260 H   0  0  0  0  0
    3.7874    5.1350   -2.0734 H   0  0  0  0  0
    5.8285    4.1512   -0.2022 H   0  0  0  0  0
    5.8302    3.8288   -1.9497 H   0  0  0  0  0
    4.8021    1.9570   -0.8249 H   0  0  0  0  0
    2.6077    3.8362    0.2255 H   0  0  0  0  0
    3.9628    3.2284    1.2267 H   0  0  0  0  0
    2.3763    1.5541    4.7113 H   0  0  0  0  0
    1.7532    0.3644    6.8251 H   0  0  0  0  0
    0.5678   -1.8106    6.7291 H   0  0  0  0  0
   -0.0280   -2.8385    4.5486 H   0  0  0  0  0
   -0.4363   -3.4378    2.0729 H   0  0  0  0  0
   -0.6208   -3.5628   -0.3989 H   0  0  0  0  0
    0.3057   -1.7622   -1.8258 H   0  0  0  0  0
    1.4466    0.1891   -0.8110 H   0  0  0  0  0
    2.7204    2.1033   -1.8560 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7 24  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 14 15  2  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 47  1  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL368457

>  <PubChem CID>
121848

>  <Formula>
C20H24N2O2

>  <Molecular Weight>
324.424000

>  <IUPAC Name>
1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)NCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O

>  <Isomeric SMILES>
CC(C)(C)NCC(CON=C1C2=CC=CC=C2C3=CC=CC=C31)O

>  <InChI Std. ID>
InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3

>  <InChI Key>
DSKDPDQUXBBVRD-UHFFFAOYSA-N

