2-[(2-bromophenyl)methyl]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-bromophenyl)methyl]-4-methyl-pentanoic acid Openeye Name: 2-[(2-bromophenyl)methyl]-4-methyl-pentanoic acid CAS Name: 2-[(2-bromophenyl)methyl]-4-methylpentanoic acid IUPAC Name: 2-[(2-bromophenyl)methyl]-4-methylpentanoic acid Traditional Name: 2-(2-bromobenzyl)-4-methyl-valeric acid Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC1=CC=CC=C1Br)C(=O)O

Isomeric SMILES

CC(C)CC(CC1=CC=CC=C1Br)C(=O)O

InChI

InChI=1S/C13H17BrO2/c1-9(2)7-11(13(15)16)8-10-5-3-4-6-12(10)14/h3-6,9,11H,7-8H2,1-2H3,(H,15,16)