[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CN=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)C2=CN=CC=C2)OC

InChI

InChI=1S/C17H18N2O5/c1-22-14-6-5-12(8-15(14)23-2)9-19-16(20)11-24-17(21)13-4-3-7-18-10-13/h3-8,10H,9,11H2,1-2H3,(H,19,20)