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

Systemtic Name: 2-azanyl-3-(2-ethanoyl-3-ethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(2-acetyl-3-ethyl-4-hydroxy-phenyl)-2-amino-propanoic acid CAS Name: 3-(2-acetyl-3-ethyl-4-hydroxyphenyl)-2-aminopropanoic acid IUPAC Name: 3-(2-acetyl-3-ethyl-4-hydroxyphenyl)-2-aminopropanoic acid Traditional Name: 3-(2-acetyl-3-ethyl-4-hydroxy-phenyl)-2-amino-propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)C)CC(C(=O)O)N)O

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)C)CC(C(=O)O)N)O

InChI

InChI=1S/C13H17NO4/c1-3-9-11(16)5-4-8(12(9)7(2)15)6-10(14)13(17)18/h4-5,10,16H,3,6,14H2,1-2H3,(H,17,18)