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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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