4-[(2,5-dimethoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2,5-dimethoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(2,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2,5-dimethoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(2,5-dimethoxybenzyl)amino]-4-keto-butyric acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)CCC(=O)O

InChI

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