(3R)-3-azaniumyl-4-oxidanylidene-4-(2,4,6-trimethoxyphenyl)butanoate

Systemtic Name: (3R)-3-azaniumyl-4-oxidanylidene-4-(2,4,6-trimethoxyphenyl)butanoate Openeye Name: (3R)-3-azaniumyl-4-oxo-4-(2,4,6-trimethoxyphenyl)butanoate CAS Name: (3R)-3-ammonio-4-oxo-4-(2,4,6-trimethoxyphenyl)butanoate IUPAC Name: (3R)-3-azaniumyl-4-oxo-4-(2,4,6-trimethoxyphenyl)butanoate Traditional Name: (3R)-3-ammonio-4-keto-4-(2,4,6-trimethoxyphenyl)butyrate Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-18-7-4-9(19-2)12(10(5-7)20-3)13(17)8(14)6-11(15)16/h4-5,8H,6,14H2,1-3H3,(H,15,16)/t8-/m1/s1