(phenylmethyl) 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: benzyl 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrolidine-2-carboxylate CAS Name: 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: 1-[[6-(2-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=NC3=C(N2)C=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)CC2=NC3=C(N2)C=C(C=C3)C4=CC=CC=C4C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O2/c28-16-21-9-4-5-10-22(21)20-12-13-23-24(15-20)30-26(29-23)17-31-14-6-11-25(31)27(32)33-18-19-7-2-1-3-8-19/h1-5,7-10,12-13,15,25H,6,11,14,17-18H2,(H,29,30)