2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-pentanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoranyl-2-oxidanyl-phenyl)-4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-pentanoic acid CAS Name: 2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methylpentanoic acid Traditional Name: 2-(3,5-dimethylbenzyl)-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-valeric acid Formula: C21H25FO4 MolecularWeight: 360.419203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC(CC(C)(C)C2=C(C=CC(=C2)F)O)(C(=O)O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CC(CC(C)(C)C2=C(C=CC(=C2)F)O)(C(=O)O)O)C

InChI

InChI=1S/C21H25FO4/c1-13-7-14(2)9-15(8-13)11-21(26,19(24)25)12-20(3,4)17-10-16(22)5-6-18(17)23/h5-10,23,26H,11-12H2,1-4H3,(H,24,25)