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

Systemtic Name: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-ethoxy-3-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-ethoxy-3-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-ethoxy-3-methoxy-phenyl)propionate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-3-17-10-5-4-8(6-11(10)16-2)9(13)7-12(14)15/h4-6,9H,3,7,13H2,1-2H3,(H,14,15)/t9-/m0/s1