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

Systemtic Name: (6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(4-ethanoylphenoxy)butanoate Openeye Name: (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic 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 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid (6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C27H25BrO6 MolecularWeight: 525.3878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25BrO6/c1-18(29)19-9-11-24(12-10-19)31-13-5-8-25(30)32-16-21-14-23(28)15-22-17-33-27(34-26(21)22)20-6-3-2-4-7-20/h2-4,6-7,9-12,14-15,27H,5,8,13,16-17H2,1H3