ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[(6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate CAS Name: 3-[(3-methoxyphenyl)methyl]-1-[oxo-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(6-keto-4,5-dihydro-1H-pyridazine-3-carbonyl)-3-m-anisyl-nipecotic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)C(=O)C2=NNC(=O)CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H27N3O5/c1-3-29-20(27)21(13-15-6-4-7-16(12-15)28-2)10-5-11-24(14-21)19(26)17-8-9-18(25)23-22-17/h4,6-7,12H,3,5,8-11,13-14H2,1-2H3,(H,23,25)