5-[(3,4-dimethoxyphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3,4-dimethoxyphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dimethoxyanilino)-5-oxo-pentanoic acid CAS Name: 5-(3,4-dimethoxyanilino)-5-oxopentanoic acid IUPAC Name: 5-(3,4-dimethoxyanilino)-5-oxopentanoic acid Traditional Name: 5-(3,4-dimethoxyanilino)-5-keto-valeric acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCC(=O)O)OC

InChI

InChI=1S/C13H17NO5/c1-18-10-7-6-9(8-11(10)19-2)14-12(15)4-3-5-13(16)17/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)