(4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)-5-oxidanylidene-pentanoate

Systemtic Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)-5-oxidanylidene-pentanoate Openeye Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)-5-oxo-pentanoate CAS Name: (4R)-4-ammonio-5-(2,4-dimethoxyphenyl)-5-oxopentanoate IUPAC Name: (4R)-4-azaniumyl-5-(2,4-dimethoxyphenyl)-5-oxopentanoate Traditional Name: (4R)-4-ammonio-5-(2,4-dimethoxyphenyl)-5-keto-valerate Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-18-8-3-4-9(11(7-8)19-2)13(17)10(14)5-6-12(15)16/h3-4,7,10H,5-6,14H2,1-2H3,(H,15,16)/t10-/m1/s1