2-[3-(4-bromanylphenoxy)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(4-bromanylphenoxy)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(4-bromophenoxy)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(4-bromophenoxy)propanoylamino]-3-methyl-butyric acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCOC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C14H18BrNO4/c1-9(2)13(14(18)19)16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)