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

Systemtic Name: (2S)-2-(azaniumylamino)-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate Openeye Name: (2S)-2-(azaniumylamino)-3-(3,4-dimethoxyphenyl)-2-methyl-propanoate CAS Name: (2S)-2-(ammonioamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoate IUPAC Name: (2S)-2-(azaniumylamino)-3-(3,4-dimethoxyphenyl)-2-methylpropanoate Traditional Name: (2S)-2-(ammonioamino)-3-(3,4-dimethoxyphenyl)-2-methyl-propionate Formula: C12H18N2O4 MolecularWeight: 254.28232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4/c1-12(14-13,11(15)16)7-8-4-5-9(17-2)10(6-8)18-3/h4-6,14H,7,13H2,1-3H3,(H,15,16)/t12-/m0/s1