(4-phenethyloxycarbonylphenyl) 5-bromanyl-2-(2-methylpropoxy)benzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 5-bromanyl-2-(2-methylpropoxy)benzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 5-bromo-2-isobutoxy-benzoate CAS Name: 5-bromo-2-(2-methylpropoxy)benzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 5-bromo-2-(2-methylpropoxy)benzoate Traditional Name: 5-bromo-2-isobutoxy-benzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO5/c1-18(2)17-31-24-13-10-21(27)16-23(24)26(29)32-22-11-8-20(9-12-22)25(28)30-15-14-19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3