2-azanyl-3-[2-ethyl-4,5-bis(oxidanyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-ethyl-4,5-bis(oxidanyl)phenyl]propanoic acid Openeye Name: 2-amino-3-(2-ethyl-4,5-dihydroxy-phenyl)propanoic acid CAS Name: 2-amino-3-(2-ethyl-4,5-dihydroxyphenyl)propanoic acid IUPAC Name: 2-amino-3-(2-ethyl-4,5-dihydroxyphenyl)propanoic acid Traditional Name: 2-amino-3-(2-ethyl-4,5-dihydroxy-phenyl)propionic acid Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1CC(C(=O)O)N)O)O

Isomeric SMILES

CCC1=CC(=C(C=C1CC(C(=O)O)N)O)O

InChI

InChI=1S/C11H15NO4/c1-2-6-4-9(13)10(14)5-7(6)3-8(12)11(15)16/h4-5,8,13-14H,2-3,12H2,1H3,(H,15,16)