(3S)-3-azaniumyl-3-(3-ethoxy-4-oxidanyl-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-oxidanyl-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-hydroxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3-ethoxy-4-hydroxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3-ethoxy-4-hydroxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3-ethoxy-4-hydroxy-phenyl)propionate Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)[O-])[NH3+])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](CC(=O)[O-])[NH3+])O

InChI

InChI=1S/C11H15NO4/c1-2-16-10-5-7(3-4-9(10)13)8(12)6-11(14)15/h3-5,8,13H,2,6,12H2,1H3,(H,14,15)/t8-/m0/s1