2-azanyl-3-(3,4-dimethoxyphenyl)-3-oxidanyl-propanoic acid; ethanoic acid

Systemtic Name: 2-azanyl-3-(3,4-dimethoxyphenyl)-3-oxidanyl-propanoic acid; ethanoic acid Openeye Name: acetic acid; 2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxy-propanoic acid CAS Name: acetic acid; 2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid IUPAC Name: acetic acid; 2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid Traditional Name: acetic acid; 2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxy-propionic acid Formula: C13H19NO7 MolecularWeight: 301.29246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC1=C(C=C(C=C1)C(C(C(=O)O)N)O)OC

Isomeric SMILES

CC(=O)O.COC1=C(C=C(C=C1)C(C(C(=O)O)N)O)OC

InChI

InChI=1S/C11H15NO5.C2H4O2/c1-16-7-4-3-6(5-8(7)17-2)10(13)9(12)11(14)15;1-2(3)4/h3-5,9-10,13H,12H2,1-2H3,(H,14,15);1H3,(H,3,4)