[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-chloranylpyridine-2-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O5/c1-24-15-4-3-12(9-16(15)25-2)5-7-21-17(22)11-26-18(23)14-10-13(19)6-8-20-14/h3-4,6,8-10H,5,7,11H2,1-2H3,(H,21,22)