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

Systemtic Name: (phenylmethyl) (2S)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(4-nitrophenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C25H22N4O4 MolecularWeight: 442.46658

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4/c30-25(33-16-17-5-2-1-3-6-17)28-14-4-7-23(28)24-26-21-13-10-19(15-22(21)27-24)18-8-11-20(12-9-18)29(31)32/h1-3,5-6,8-13,15,23H,4,7,14,16H2,(H,26,27)/t23-/m0/s1