2-(hydroxymethyl)-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one Openeye Name: 2-(hydroxymethyl)-5-[5-[[6-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-4-one CAS Name: 2-(hydroxymethyl)-5-[5-[[6-(trifluoromethyl)-4-quinolinyl]oxy]pentoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one Traditional Name: 2-methylol-5-[5-[[6-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-4-one Formula: C21H20F3NO5 MolecularWeight: 423.38241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CO

Isomeric SMILES

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CO

InChI

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