(3S)-4-azaniumyl-3-(4-ethoxyphenyl)butanoate

Systemtic Name: (3S)-4-azaniumyl-3-(4-ethoxyphenyl)butanoate Openeye Name: (3S)-4-azaniumyl-3-(4-ethoxyphenyl)butanoate CAS Name: (3S)-4-ammonio-3-(4-ethoxyphenyl)butanoate IUPAC Name: (3S)-4-azaniumyl-3-(4-ethoxyphenyl)butanoate Traditional Name: (3S)-4-ammonio-3-p-phenetyl-butyrate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-2-16-11-5-3-9(4-6-11)10(8-13)7-12(14)15/h3-6,10H,2,7-8,13H2,1H3,(H,14,15)/t10-/m1/s1