[(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(1R)-2-(ethylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 1-butyl-5-chloro-3-methyl-4-pyrazolecarboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-(ethylcarbamoylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C2=CC=CC=C2)C(=O)NC(=O)NCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC(=O)NCC)Cl

InChI

InChI=1S/C20H25ClN4O4/c1-4-6-12-25-17(21)15(13(3)24-25)19(27)29-16(14-10-8-7-9-11-14)18(26)23-20(28)22-5-2/h7-11,16H,4-6,12H2,1-3H3,(H2,22,23,26,28)/t16-/m1/s1