2-azanyl-3-(3-ethanoyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-azanyl-3-(3-ethanoyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-amino-propanoic acid CAS Name: 3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoic acid IUPAC Name: 3-(3-acetyl-4-hydroxyphenyl)-2-aminopropanoic acid Traditional Name: 3-(3-acetyl-4-hydroxy-phenyl)-2-amino-propionic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)O)N)O

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CC(C(=O)O)N)O

InChI

InChI=1S/C11H13NO4/c1-6(13)8-4-7(2-3-10(8)14)5-9(12)11(15)16/h2-4,9,14H,5,12H2,1H3,(H,15,16)