[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=NC=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=NC=C2

InChI

InChI=1S/C17H17NO6/c1-21-14-8-12(9-15(22-2)16(14)23-3)13(19)10-24-17(20)11-4-6-18-7-5-11/h4-9H,10H2,1-3H3