[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C20H26ClN3O3 MolecularWeight: 391.89174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(C)CCC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N[C@H](C)CCC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C20H26ClN3O3/c1-13(2)10-11-14(3)22-17(25)12-27-20(26)18-15(4)23-24(19(18)21)16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,22,25)/t14-/m1/s1