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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [(1R)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [(1R)-2-cumidino-2-keto-1-methyl-ethyl] ester Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C(C)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C(C)C)Cl)CC(C)C

InChI

InChI=1S/C21H28ClN3O3/c1-12(2)11-25-19(22)18(14(5)24-25)21(27)28-15(6)20(26)23-17-9-7-16(8-10-17)13(3)4/h7-10,12-13,15H,11H2,1-6H3,(H,23,26)/t15-/m1/s1