(3S)-4-azaniumyl-3-(3-methoxy-4-oxidanyl-phenyl)butanoate

Systemtic Name: (3S)-4-azaniumyl-3-(3-methoxy-4-oxidanyl-phenyl)butanoate Openeye Name: (3S)-4-azaniumyl-3-(4-hydroxy-3-methoxy-phenyl)butanoate CAS Name: (3S)-4-ammonio-3-(4-hydroxy-3-methoxyphenyl)butanoate IUPAC Name: (3S)-4-azaniumyl-3-(4-hydroxy-3-methoxyphenyl)butanoate Traditional Name: (3S)-4-ammonio-3-(4-hydroxy-3-methoxy-phenyl)butyrate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4/c1-16-10-4-7(2-3-9(10)13)8(6-12)5-11(14)15/h2-4,8,13H,5-6,12H2,1H3,(H,14,15)/t8-/m1/s1