3-azanyl-2-(4-methoxy-2,5-dimethyl-phenyl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(CN)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(CN)C(=O)O)C)OC

InChI

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