(3R)-3-azaniumyl-4-(2,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (3R)-3-azaniumyl-4-(2,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: (3R)-3-azaniumyl-4-(2,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: (3R)-3-ammonio-4-(2,4-dimethoxyphenyl)-4-oxobutanoate IUPAC Name: (3R)-3-azaniumyl-4-(2,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: (3R)-3-ammonio-4-(2,4-dimethoxyphenyl)-4-keto-butyrate Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[C@@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C12H15NO5/c1-17-7-3-4-8(10(5-7)18-2)12(16)9(13)6-11(14)15/h3-5,9H,6,13H2,1-2H3,(H,14,15)/t9-/m1/s1