6-[[3-[1,2-bis(oxidanyl)butan-2-yl]-5-fluoranyl-phenoxy]methyl]-1-methyl-quinolin-2-one

Systemtic Name: 6-[[3-[1,2-bis(oxidanyl)butan-2-yl]-5-fluoranyl-phenoxy]methyl]-1-methyl-quinolin-2-one Openeye Name: 6-[[3-fluoro-5-[1-hydroxy-1-(hydroxymethyl)propyl]phenoxy]methyl]-1-methyl-quinolin-2-one CAS Name: 6-[[3-(1,2-dihydroxybutan-2-yl)-5-fluorophenoxy]methyl]-1-methyl-2-quinolinone IUPAC Name: 6-[[3-(1,2-dihydroxybutan-2-yl)-5-fluorophenoxy]methyl]-1-methylquinolin-2-one Traditional Name: 6-[[3-fluoro-5-(1-hydroxy-1-methylol-propyl)phenoxy]methyl]-1-methyl-carbostyril Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C1=CC(=CC(=C1)F)OCC2=CC3=C(C=C2)N(C(=O)C=C3)C)O

Isomeric SMILES

CCC(CO)(C1=CC(=CC(=C1)F)OCC2=CC3=C(C=C2)N(C(=O)C=C3)C)O

InChI

InChI=1S/C21H22FNO4/c1-3-21(26,13-24)16-9-17(22)11-18(10-16)27-12-14-4-6-19-15(8-14)5-7-20(25)23(19)2/h4-11,24,26H,3,12-13H2,1-2H3