3-[3,4-bis(oxidanyl)phenyl]-2-(2-carboxyethylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-(2-carboxyethylamino)propanoic acid Openeye Name: 2-(2-carboxyethylamino)-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: 2-(2-carboxyethylamino)-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-(2-carboxyethylamino)-3-(3,4-dihydroxyphenyl)propanoic acid Traditional Name: 2-(2-carboxyethylamino)-3-(3,4-dihydroxyphenyl)propionic acid Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NCCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NCCC(=O)O)O)O

InChI

InChI=1S/C12H15NO6/c14-9-2-1-7(6-10(9)15)5-8(12(18)19)13-4-3-11(16)17/h1-2,6,8,13-15H,3-5H2,(H,16,17)(H,18,19)