tert-butyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-6-(trifluoromethyl)benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-6-(trifluoromethyl)benzimidazole-1-carboxylate Openeye Name: tert-butyl 3-[(1-isopentylbenzimidazol-2-yl)methyl]-2-oxo-6-(trifluoromethyl)benzimidazole-1-carboxylate CAS Name: 3-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-6-(trifluoromethyl)-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxo-6-(trifluoromethyl)benzimidazole-1-carboxylate Traditional Name: 3-[(1-isoamylbenzimidazol-2-yl)methyl]-2-keto-6-(trifluoromethyl)benzimidazole-1-carboxylic acid tert-butyl ester Formula: C26H29F3N4O3 MolecularWeight: 502.52867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=C(C=C4)C(F)(F)F)N(C3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=C(C=C(C=C4)C(F)(F)F)N(C3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H29F3N4O3/c1-16(2)12-13-31-19-9-7-6-8-18(19)30-22(31)15-32-20-11-10-17(26(27,28)29)14-21(20)33(23(32)34)24(35)36-25(3,4)5/h6-11,14,16H,12-13,15H2,1-5H3