[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxylate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate CAS Name: 6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate Traditional Name: 6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=NN(C(=O)C=C1)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=NN(C(=O)C=C1)CCOC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O5/c1-17(2)8-7-9-18(3)24-21(27)16-31-23(29)20-12-13-22(28)26(25-20)14-15-30-19-10-5-4-6-11-19/h4-6,10-13,17-18H,7-9,14-16H2,1-3H3,(H,24,27)