[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H25ClN4O4 MolecularWeight: 372.8471

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC(=O)NC(C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)Cl

InChI

InChI=1S/C16H25ClN4O4/c1-6-7-8-21-13(17)12(10(4)20-21)15(23)25-11(5)14(22)19-16(24)18-9(2)3/h9,11H,6-8H2,1-5H3,(H2,18,19,22,24)/t11-/m1/s1