[3-(2-methylpropoxycarbonyl)phenyl] 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (3-isobutoxycarbonylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid [3-[2-methylpropoxy(oxo)methyl]phenyl] ester IUPAC Name: [3-(2-methylpropoxycarbonyl)phenyl] 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (3-isobutoxycarbonylphenyl) ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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