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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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