4-[(2,3-dimethoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,3-dimethoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2,3-dimethoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(2,3-dimethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2,3-dimethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-(o-veratrylamino)butyric acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CCC(=O)O

InChI

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