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

Systemtic Name: (phenylmethyl) (2S)-2-(6-naphthalen-2-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(2-naphthyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(2-naphthalenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(6-naphthalen-2-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(2-naphthyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H25N3O2 MolecularWeight: 447.5277

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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=C6C=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=C6C=C5

InChI

InChI=1S/C29H25N3O2/c33-29(34-19-20-7-2-1-3-8-20)32-16-6-11-27(32)28-30-25-15-14-24(18-26(25)31-28)23-13-12-21-9-4-5-10-22(21)17-23/h1-5,7-10,12-15,17-18,27H,6,11,16,19H2,(H,30,31)/t27-/m0/s1