(4-butoxycarbonylphenyl) 3-bromanyl-4-(2-methoxyethoxy)benzoate

Systemtic Name: (4-butoxycarbonylphenyl) 3-bromanyl-4-(2-methoxyethoxy)benzoate Openeye Name: (4-butoxycarbonylphenyl) 3-bromo-4-(2-methoxyethoxy)benzoate CAS Name: 3-bromo-4-(2-methoxyethoxy)benzoic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 3-bromo-4-(2-methoxyethoxy)benzoate Traditional Name: 3-bromo-4-(2-methoxyethoxy)benzoic acid (4-butoxycarbonylphenyl) ester Formula: C21H23BrO6 MolecularWeight: 451.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C21H23BrO6/c1-3-4-11-27-20(23)15-5-8-17(9-6-15)28-21(24)16-7-10-19(18(22)14-16)26-13-12-25-2/h5-10,14H,3-4,11-13H2,1-2H3