(3S)-3-azaniumyl-3-(4-methoxycarbonylphenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-methoxycarbonylphenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-methoxycarbonylphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-methoxycarbonylphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-methoxycarbonylphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-carbomethoxyphenyl)propionate Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-16-11(15)8-4-2-7(3-5-8)9(12)6-10(13)14/h2-5,9H,6,12H2,1H3,(H,13,14)/t9-/m0/s1