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

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C25H23BrO6 MolecularWeight: 499.35052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=C3C(=CC(=C2)Br)COC(O3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H23BrO6/c1-28-21-9-8-16(10-22(21)29-2)11-23(27)30-14-18-12-20(26)13-19-15-31-25(32-24(18)19)17-6-4-3-5-7-17/h3-10,12-13,25H,11,14-15H2,1-2H3