methyl 2-(3-bromophenyl)-4-methyl-pentanoate

Systemtic Name: methyl 2-(3-bromophenyl)-4-methyl-pentanoate Openeye Name: methyl 2-(3-bromophenyl)-4-methyl-pentanoate CAS Name: 2-(3-bromophenyl)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-(3-bromophenyl)-4-methylpentanoate Traditional Name: 2-(3-bromophenyl)-4-methyl-valeric acid methyl ester Formula: C13H17BrO2 MolecularWeight: 285.17688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=CC=C1)Br)C(=O)OC

Isomeric SMILES

CC(C)CC(C1=CC(=CC=C1)Br)C(=O)OC

InChI

InChI=1S/C13H17BrO2/c1-9(2)7-12(13(15)16-3)10-5-4-6-11(14)8-10/h4-6,8-9,12H,7H2,1-3H3