2-[(2-bromophenyl)methyl]-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-pentanoic acid

Systemtic Name: 2-[(2-bromophenyl)methyl]-4-(5-fluoranyl-2-methoxy-phenyl)-4-methyl-2-oxidanyl-pentanoic acid Openeye Name: 2-[(2-bromophenyl)methyl]-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-pentanoic acid CAS Name: 2-[(2-bromophenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid IUPAC Name: 2-[(2-bromophenyl)methyl]-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methylpentanoic acid Traditional Name: 2-(2-bromobenzyl)-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-valeric acid Formula: C20H22BrFO4 MolecularWeight: 425.288683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CC1=CC=CC=C1Br)(C(=O)O)O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC(C)(CC(CC1=CC=CC=C1Br)(C(=O)O)O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C20H22BrFO4/c1-19(2,15-10-14(22)8-9-17(15)26-3)12-20(25,18(23)24)11-13-6-4-5-7-16(13)21/h4-10,25H,11-12H2,1-3H3,(H,23,24)