(phenylmethyl) (2R)-2-(4-cyano-6-fluoranyl-1H-benzimidazol-2-yl)-2-methyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-(4-cyano-6-fluoranyl-1H-benzimidazol-2-yl)-2-methyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-(4-cyano-6-fluoro-1H-benzimidazol-2-yl)-2-methyl-pyrrolidine-1-carboxylate CAS Name: (2R)-2-(4-cyano-6-fluoro-1H-benzimidazol-2-yl)-2-methyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-(4-cyano-6-fluoro-1H-benzimidazol-2-yl)-2-methylpyrrolidine-1-carboxylate Traditional Name: (2R)-2-(4-cyano-6-fluoro-1H-benzimidazol-2-yl)-2-methyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H19FN4O2 MolecularWeight: 378.399563

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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)F

Isomeric SMILES

C[C@@]1(CCCN1C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4C#N)F

InChI

InChI=1S/C21H19FN4O2/c1-21(19-24-17-11-16(22)10-15(12-23)18(17)25-19)8-5-9-26(21)20(27)28-13-14-6-3-2-4-7-14/h2-4,6-7,10-11H,5,8-9,13H2,1H3,(H,24,25)/t21-/m1/s1