2-azanyl-3-(2,6-diethyl-4-oxidanyl-phenyl)propanoic acid hydrobromide

Systemtic Name: 2-azanyl-3-(2,6-diethyl-4-oxidanyl-phenyl)propanoic acid hydrobromide Openeye Name: 2-amino-3-(2,6-diethyl-4-hydroxy-phenyl)propanoic acid hydrobromide CAS Name: 2-amino-3-(2,6-diethyl-4-hydroxyphenyl)propanoic acid hydrobromide IUPAC Name: 2-amino-3-(2,6-diethyl-4-hydroxyphenyl)propanoic acid hydrobromide Traditional Name: 2-amino-3-(2,6-diethyl-4-hydroxy-phenyl)propionic acid hydrobromide Formula: C13H20BrNO3 MolecularWeight: 318.2068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CC(C(=O)O)N)CC)O.Br

Isomeric SMILES

CCC1=CC(=CC(=C1CC(C(=O)O)N)CC)O.Br

InChI

InChI=1S/C13H19NO3.BrH/c1-3-8-5-10(15)6-9(4-2)11(8)7-12(14)13(16)17;/h5-6,12,15H,3-4,7,14H2,1-2H3,(H,16,17);1H