[(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-butyl-5-chloranyl-3-methyl-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-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 [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-butyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-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=C(C=CC(=C2)C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3/c1-6-7-10-24-18(21)17(14(4)23-24)20(26)27-15(5)19(25)22-16-11-12(2)8-9-13(16)3/h8-9,11,15H,6-7,10H2,1-5H3,(H,22,25)/t15-/m0/s1