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

Systemtic Name: 2-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 2-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoic acid CAS Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid IUPAC Name: 2-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid Traditional Name: 2-[(2-hydroxy-3,5-dimethyl-benzyl)amino]propionic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-7-4-8(2)11(14)10(5-7)6-13-9(3)12(15)16/h4-5,9,13-14H,6H2,1-3H3,(H,15,16)