[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H27N3O6/c1-4-5-12-24-20(26)9-7-16(23-24)21(27)30-14-19(25)22-11-10-15-6-8-17(28-2)18(13-15)29-3/h6-9,13H,4-5,10-12,14H2,1-3H3,(H,22,25)