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

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-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-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27ClN4O4 MolecularWeight: 398.88438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC(=O)NC2CCCC2)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)Cl

InChI

InChI=1S/C18H27ClN4O4/c1-4-5-10-23-15(19)14(11(2)22-23)17(25)27-12(3)16(24)21-18(26)20-13-8-6-7-9-13/h12-13H,4-10H2,1-3H3,(H2,20,21,24,26)/t12-/m1/s1