[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-(4-methoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [2-(4-methoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-(4-carbomethoxypiperidino)-2-keto-ethyl] ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O7/c1-30-21(28)16-9-11-24(12-10-16)20(27)15-32-22(29)18-7-8-19(26)25(23-18)13-14-31-17-5-3-2-4-6-17/h2-8,16H,9-15H2,1H3