2-acetamido-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid; ethanoic acid

Systemtic Name: 2-acetamido-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid; ethanoic acid Openeye Name: 2-acetamido-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid; acetic acid CAS Name: 2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid; acetic acid IUPAC Name: 2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acid; acetic acid Traditional Name: 2-acetamido-3-(4-hydroxy-3-methoxy-phenyl)propionic acid; acetic acid Formula: C14H19NO7 MolecularWeight: 313.30316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)O)OC)C(=O)O.CC(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)O)OC)C(=O)O.CC(=O)O

InChI

InChI=1S/C12H15NO5.C2H4O2/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2;1-2(3)4/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17);1H3,(H,3,4)