2-azanyl-3-(2-ethyl-6-methyl-4-oxidanyl-phenyl)propanoic acid hydrobromide

Systemtic Name: 2-azanyl-3-(2-ethyl-6-methyl-4-oxidanyl-phenyl)propanoic acid hydrobromide Openeye Name: 2-amino-3-(2-ethyl-4-hydroxy-6-methyl-phenyl)propanoic acid hydrobromide CAS Name: 2-amino-3-(2-ethyl-4-hydroxy-6-methylphenyl)propanoic acid hydrobromide IUPAC Name: 2-amino-3-(2-ethyl-4-hydroxy-6-methylphenyl)propanoic acid hydrobromide Traditional Name: 2-amino-3-(2-ethyl-4-hydroxy-6-methyl-phenyl)propionic acid hydrobromide Formula: C12H18BrNO3 MolecularWeight: 304.18022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)O)C)CC(C(=O)O)N.Br

Isomeric SMILES

CCC1=C(C(=CC(=C1)O)C)CC(C(=O)O)N.Br

InChI

InChI=1S/C12H17NO3.BrH/c1-3-8-5-9(14)4-7(2)10(8)6-11(13)12(15)16;/h4-5,11,14H,3,6,13H2,1-2H3,(H,15,16);1H