[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC(=O)NC(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H25ClN4O4/c1-5-7-8-21-14(17)13(11(4)20-21)15(23)25-9-12(22)19-16(24)18-10(3)6-2/h10H,5-9H2,1-4H3,(H2,18,19,22,24)/t10-/m1/s1