ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperidine-4-carboxylate CAS Name: 4-[(4-methoxyphenyl)methyl]-1-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxyphenyl)methyl]-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(6-keto-1-methyl-pyridazine-3-carbonyl)-4-p-anisyl-isonipecotic acid ethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=NN(C(=O)C=C2)C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=NN(C(=O)C=C2)C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O5/c1-4-30-21(28)22(15-16-5-7-17(29-3)8-6-16)11-13-25(14-12-22)20(27)18-9-10-19(26)24(2)23-18/h5-10H,4,11-15H2,1-3H3