2-(hydroxymethyl)-5-[5-[8-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-5-[5-[8-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one Openeye Name: 2-(hydroxymethyl)-5-[5-[[8-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-4-one CAS Name: 2-(hydroxymethyl)-5-[5-[[8-(trifluoromethyl)-4-quinolinyl]oxy]pentoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-5-[5-[8-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one Traditional Name: 2-methylol-5-[5-[[8-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-4-one Formula: C21H20F3NO5 MolecularWeight: 423.38241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CO

Isomeric SMILES

C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CO

InChI

InChI=1S/C21H20F3NO5/c22-21(23,24)16-6-4-5-15-18(7-8-25-20(15)16)28-9-2-1-3-10-29-19-13-30-14(12-26)11-17(19)27/h4-8,11,13,26H,1-3,9-10,12H2