2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid hydrate

Systemtic Name: 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid hydrate Openeye Name: 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid hydrate CAS Name: 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid hydrate IUPAC Name: 2-acetamido-3-(3,4-dimethoxyphenyl)propanoic acid hydrate Traditional Name: 2-acetamido-3-(3,4-dimethoxyphenyl)propionic acid hydrate Formula: C13H19NO6 MolecularWeight: 285.29306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5.H2O/c1-8(15)14-10(13(16)17)6-9-4-5-11(18-2)12(7-9)19-3;/h4-5,7,10H,6H2,1-3H3,(H,14,15)(H,16,17);1H2