[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H21N3O5/c1-12-9-21-14(10-20-12)18(23)26-11-17(22)19-7-6-13-4-5-15(24-2)16(8-13)25-3/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,22)