2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoic acid CAS Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid Traditional Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethyl-benzyl)amino]propionic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CNC(CO)C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)CNC(CO)C(=O)O)O)C

InChI

InChI=1S/C12H17NO4/c1-7-3-8(2)11(15)9(4-7)5-13-10(6-14)12(16)17/h3-4,10,13-15H,5-6H2,1-2H3,(H,16,17)