[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 1-butyl-6-oxo-pyridazine-3-carboxylate CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-butyl-6-oxopyridazine-3-carboxylate Traditional Name: 1-butyl-6-keto-pyridazine-3-carboxylic acid [2-keto-2-[[(1S,2R)-2-methylcyclohexyl]amino]ethyl] ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)NC2CCCCC2C

Isomeric SMILES

CCCCN1C(=O)C=CC(=N1)C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C

InChI

InChI=1S/C18H27N3O4/c1-3-4-11-21-17(23)10-9-15(20-21)18(24)25-12-16(22)19-14-8-6-5-7-13(14)2/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,19,22)/t13-,14+/m1/s1