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

Systemtic Name: (phenylmethyl) 2-[4-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methylpyrrolidine-1-carboxylate Traditional Name: 2-[4-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H19F3N4O2 MolecularWeight: 428.40707

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4C#N)C(F)(F)F

Isomeric SMILES

CC1(CCCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4C#N)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O2/c1-21(8-5-9-29(21)20(30)31-13-14-6-3-2-4-7-14)19-27-17-11-16(22(23,24)25)10-15(12-26)18(17)28-19/h2-4,6-7,10-11H,5,8-9,13H2,1H3,(H,27,28)