1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid Traditional Name: 1-homoveratryl-6-keto-nicotinic acid Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C=C(C=CC2=O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C=C(C=CC2=O)C(=O)O)OC

InChI

InChI=1S/C16H17NO5/c1-21-13-5-3-11(9-14(13)22-2)7-8-17-10-12(16(19)20)4-6-15(17)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)