(phenylmethyl) (2S)-2-[6-(1H-indol-6-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC6=C(C=C5)C=CN6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC6=C(C=C5)C=CN6

InChI

InChI=1S/C27H24N4O2/c32-27(33-17-18-5-2-1-3-6-18)31-14-4-7-25(31)26-29-22-11-10-21(16-24(22)30-26)20-9-8-19-12-13-28-23(19)15-20/h1-3,5-6,8-13,15-16,25,28H,4,7,14,17H2,(H,29,30)/t25-/m0/s1