3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]propanoic acid CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid Traditional Name: 3-[(4-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(=CC(=C1O)C)CNCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNCCC(=O)O

InChI

InChI=1S/C12H17NO3/c1-8-5-10(6-9(2)12(8)16)7-13-4-3-11(14)15/h5-6,13,16H,3-4,7H2,1-2H3,(H,14,15)