1-[4-(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one

Systemtic Name: 1-[4-(5-bromanyl-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentyl]quinolin-4-one Openeye Name: 1-[4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one CAS Name: 1-[4-(5-bromo-2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolinone IUPAC Name: 1-[4-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]quinolin-4-one Traditional Name: 1-[4-(5-bromocoumaran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]-4-quinolone Formula: C24H23BrF3NO3 MolecularWeight: 510.34353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C4C(=CC(=C3)Br)CCO4

Isomeric SMILES

CC(C)(CC(CN1C=CC(=O)C2=CC=CC=C21)(C(F)(F)F)O)C3=C4C(=CC(=C3)Br)CCO4

InChI

InChI=1S/C24H23BrF3NO3/c1-22(2,18-12-16(25)11-15-8-10-32-21(15)18)13-23(31,24(26,27)28)14-29-9-7-20(30)17-5-3-4-6-19(17)29/h3-7,9,11-12,31H,8,10,13-14H2,1-2H3