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

Systemtic Name: 3-[(3,5-dimethyl-2-oxidanyl-phenyl)methylamino]butanoic acid Openeye Name: 3-[(2-hydroxy-3,5-dimethyl-phenyl)methylamino]butanoic acid CAS Name: 3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanoic acid IUPAC Name: 3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]butanoic acid Traditional Name: 3-[(2-hydroxy-3,5-dimethyl-benzyl)amino]butyric acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-8-4-9(2)13(17)11(5-8)7-14-10(3)6-12(15)16/h4-5,10,14,17H,6-7H2,1-3H3,(H,15,16)