(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)ethanoate

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)ethanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)acetate CAS Name: 2-(2-ethyl-1-benzimidazolyl)acetic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(2-ethylbenzimidazol-1-yl)acetate Traditional Name: 2-(2-ethylbenzimidazol-1-yl)acetic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H23BrN2O4 MolecularWeight: 507.37582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2N1CC(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=CC=CC=C2N1CC(=O)OCC3=C4C(=CC(=C3)Br)COC(O4)C5=CC=CC=C5

InChI

InChI=1S/C26H23BrN2O4/c1-2-23-28-21-10-6-7-11-22(21)29(23)14-24(30)31-15-18-12-20(27)13-19-16-32-26(33-25(18)19)17-8-4-3-5-9-17/h3-13,26H,2,14-16H2,1H3