(2S)-2-azaniumyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate CAS Name: (2S)-2-ammonio-3-(3,4-dimethoxyphenyl)-2-methylpropanoate IUPAC Name: (2S)-2-azaniumyl-3-(3,4-dimethoxyphenyl)-2-methylpropanoate Traditional Name: (2S)-2-ammonio-3-(3,4-dimethoxyphenyl)-2-methyl-propionate Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)OC)OC)(C(=O)[O-])[NH3+]

Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)OC)OC)(C(=O)[O-])[NH3+]

InChI

InChI=1S/C12H17NO4/c1-12(13,11(14)15)7-8-4-5-9(16-2)10(6-8)17-3/h4-6H,7,13H2,1-3H3,(H,14,15)/t12-/m0/s1