3-[2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)phenoxy]propane-1,2-diol

Systemtic Name: 3-[2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)phenoxy]propane-1,2-diol Openeye Name: 3-[2-[6-(7-quinolyloxy)pyrimidin-4-yl]-5-(trifluoromethyl)phenoxy]propane-1,2-diol CAS Name: 3-[2-[6-(7-quinolinyloxy)-4-pyrimidinyl]-5-(trifluoromethyl)phenoxy]propane-1,2-diol IUPAC Name: 3-[2-(6-quinolin-7-yloxypyrimidin-4-yl)-5-(trifluoromethyl)phenoxy]propane-1,2-diol Traditional Name: 3-[2-[6-(7-quinolyloxy)pyrimidin-4-yl]-5-(trifluoromethyl)phenoxy]propane-1,2-diol Formula: C23H18F3N3O4 MolecularWeight: 457.40193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)OC3=NC=NC(=C3)C4=C(C=C(C=C4)C(F)(F)F)OCC(CO)O)N=C1

Isomeric SMILES

C1=CC2=C(C=C(C=C2)OC3=NC=NC(=C3)C4=C(C=C(C=C4)C(F)(F)F)OCC(CO)O)N=C1

InChI

InChI=1S/C23H18F3N3O4/c24-23(25,26)15-4-6-18(21(8-15)32-12-16(31)11-30)20-10-22(29-13-28-20)33-17-5-3-14-2-1-7-27-19(14)9-17/h1-10,13,16,30-31H,11-12H2