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

Systemtic Name: [(2R)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1R)-2-(4-ethylanilino)-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-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)CC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)CC)Cl

InChI

InChI=1S/C20H26ClN3O3/c1-5-7-12-24-18(21)17(13(3)23-24)20(26)27-14(4)19(25)22-16-10-8-15(6-2)9-11-16/h8-11,14H,5-7,12H2,1-4H3,(H,22,25)/t14-/m1/s1