(phenylmethyl) (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(4-cyanophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O2/c27-16-18-8-10-20(11-9-18)21-12-13-22-23(15-21)29-25(28-22)24-7-4-14-30(24)26(31)32-17-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,24H,4,7,14,17H2,(H,28,29)/t24-/m0/s1