(phenylmethyl) (2S)-2-(6-quinolin-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(6-quinolin-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(3-quinolyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(3-quinolinyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(6-quinolin-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(3-quinolyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C28H24N4O2 MolecularWeight: 448.51576

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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=CC6=CC=CC=C6N=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C28H24N4O2/c33-28(34-18-19-7-2-1-3-8-19)32-14-6-11-26(32)27-30-24-13-12-20(16-25(24)31-27)22-15-21-9-4-5-10-23(21)29-17-22/h1-5,7-10,12-13,15-17,26H,6,11,14,18H2,(H,30,31)/t26-/m0/s1