(3-propoxycarbonylphenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: (3-propoxycarbonylphenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: (3-propoxycarbonylphenyl) 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid [3-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (3-propoxycarbonylphenyl) 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (3-propoxycarbonylphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C21H23BrO5/c1-4-10-25-20(23)15-6-5-7-17(11-15)27-21(24)16-8-9-19(18(22)12-16)26-13-14(2)3/h5-9,11-12,14H,4,10,13H2,1-3H3