(2S)-2-azaniumyl-3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3,5-dimethoxyphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(3,5-dimethoxyphenyl)propanoate CAS Name: (2S)-2-ammonio-3-(3,5-dimethoxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(3,5-dimethoxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(3,5-dimethoxyphenyl)propionate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CC(C(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[C@@H](C(=O)[O-])[NH3+])OC

InChI

InChI=1S/C11H15NO4/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14/h3-4,6,10H,5,12H2,1-2H3,(H,13,14)/t10-/m0/s1