3-(4-fluorophenyl)-5-(2-methylphenyl)-2-(2-methylpropanoyl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-(4-fluorophenyl)-5-(2-methylphenyl)-2-(2-methylpropanoyl)-5-oxidanylidene-pentanoic acid Openeye Name: 3-(4-fluorophenyl)-2-(2-methylpropanoyl)-5-(o-tolyl)-5-oxo-pentanoic acid CAS Name: 3-(4-fluorophenyl)-2-(2-methyl-1-oxopropyl)-5-(2-methylphenyl)-5-oxopentanoic acid IUPAC Name: 3-(4-fluorophenyl)-5-(2-methylphenyl)-2-(2-methylpropanoyl)-5-oxopentanoic acid Traditional Name: 3-(4-fluorophenyl)-2-isobutyryl-5-keto-5-(o-tolyl)valeric acid Formula: C22H23FO4 MolecularWeight: 370.414023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CC(C2=CC=C(C=C2)F)C(C(=O)C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)CC(C2=CC=C(C=C2)F)C(C(=O)C(C)C)C(=O)O

InChI

InChI=1S/C22H23FO4/c1-13(2)21(25)20(22(26)27)18(15-8-10-16(23)11-9-15)12-19(24)17-7-5-4-6-14(17)3/h4-11,13,18,20H,12H2,1-3H3,(H,26,27)