(phenylmethyl) 2-[4-bromanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-bromanyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidine-1-carboxylate Traditional Name: 2-[4-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H19BrF3N3O2 MolecularWeight: 482.29367

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4Br)C(F)(F)F

Isomeric SMILES

CC1(CCCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4Br)C(F)(F)F

InChI

InChI=1S/C21H19BrF3N3O2/c1-20(8-5-9-28(20)19(29)30-12-13-6-3-2-4-7-13)18-26-16-11-14(21(23,24)25)10-15(22)17(16)27-18/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,26,27)