(phenylmethyl) (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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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=C(C=C5)OCO6

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)OCO6

InChI

InChI=1S/C26H23N3O4/c30-26(31-15-17-5-2-1-3-6-17)29-12-4-7-22(29)25-27-20-10-8-18(13-21(20)28-25)19-9-11-23-24(14-19)33-16-32-23/h1-3,5-6,8-11,13-14,22H,4,7,12,15-16H2,(H,27,28)/t22-/m0/s1