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

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]butanoic acid CAS Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanoic acid IUPAC Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanoic acid Traditional Name: 3-hydroxy-2-[(2-hydroxy-3,5-dimethyl-benzyl)amino]butyric acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-7-4-8(2)12(16)10(5-7)6-14-11(9(3)15)13(17)18/h4-5,9,11,14-16H,6H2,1-3H3,(H,17,18)