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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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