1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 3-ethyl-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 3-ethyl-2-methyl-benzimidazole-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 3-ethyl-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-ethyl-2-methyl-5-benzimidazolecarboxylic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 3-ethyl-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-ethyl-2-methyl-benzimidazole-5-carboxylic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester Formula: C14H12F6N2O2 MolecularWeight: 354.247699

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=C(C=C2)C(=O)OC(C(F)(F)F)C(F)(F)F)C

Isomeric SMILES

CCN1C(=NC2=C1C=C(C=C2)C(=O)OC(C(F)(F)F)C(F)(F)F)C

InChI

InChI=1S/C14H12F6N2O2/c1-3-22-7(2)21-9-5-4-8(6-10(9)22)11(23)24-12(13(15,16)17)14(18,19)20/h4-6,12H,3H2,1-2H3