[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H26ClN3O4 MolecularWeight: 419.90184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)CC(C)C)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)CC(C)C)Cl

InChI

InChI=1S/C21H26ClN3O4/c1-5-6-18(27)23-16-9-7-15(8-10-16)17(26)12-29-21(28)19-14(4)24-25(20(19)22)11-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H,23,27)