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

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 6-oxidanylidene-1-propyl-pyridazine-3-carboxylate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 6-oxo-1-propyl-pyridazine-3-carboxylate CAS Name: 6-oxo-1-propyl-3-pyridazinecarboxylic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate Traditional Name: 6-keto-1-propyl-pyridazine-3-carboxylic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H25N3O6/c1-4-11-23-19(25)8-6-15(22-23)20(26)29-13-18(24)21-10-9-14-5-7-16(27-2)17(12-14)28-3/h5-8,12H,4,9-11,13H2,1-3H3,(H,21,24)