3-(4-fluorophenyl)-5-methyl-4-oxidanylidene-3-phenacyl-hexanoic acid

Systemtic Name: 3-(4-fluorophenyl)-5-methyl-4-oxidanylidene-3-phenacyl-hexanoic acid Openeye Name: 3-(4-fluorophenyl)-5-methyl-4-oxo-3-phenacyl-hexanoic acid CAS Name: 3-(4-fluorophenyl)-5-methyl-4-oxo-3-phenacylhexanoic acid IUPAC Name: 3-(4-fluorophenyl)-5-methyl-4-oxo-3-phenacylhexanoic acid Traditional Name: 3-(4-fluorophenyl)-4-keto-5-methyl-3-phenacyl-hexanoic acid Formula: C21H21FO4 MolecularWeight: 356.387443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(CC(=O)C1=CC=CC=C1)(CC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(=O)C(CC(=O)C1=CC=CC=C1)(CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H21FO4/c1-14(2)20(26)21(13-19(24)25,16-8-10-17(22)11-9-16)12-18(23)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,25)