2-[3-(3-bromophenyl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]-3-methyl-butyric acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H18BrNO3/c1-9(2)13(14(18)19)16-12(17)7-6-10-4-3-5-11(15)8-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,16,17)(H,18,19)