2-(aminomethyl)-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(aminomethyl)-3-(3,5-dimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(aminomethyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)propanoic acid CAS Name: 2-(aminomethyl)-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid IUPAC Name: 2-(aminomethyl)-3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid Traditional Name: 2-(aminomethyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)propionic acid Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-7-3-9(4-8(2)11(7)14)5-10(6-13)12(15)16/h3-4,10,14H,5-6,13H2,1-2H3,(H,15,16)