(3-propoxycarbonylphenyl) 5-bromanyl-2-(3-methylbutoxy)benzoate

Systemtic Name: (3-propoxycarbonylphenyl) 5-bromanyl-2-(3-methylbutoxy)benzoate Openeye Name: (3-propoxycarbonylphenyl) 5-bromo-2-isopentyloxy-benzoate CAS Name: 5-bromo-2-(3-methylbutoxy)benzoic acid [3-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (3-propoxycarbonylphenyl) 5-bromo-2-(3-methylbutoxy)benzoate Traditional Name: 5-bromo-2-isoamoxy-benzoic acid (3-propoxycarbonylphenyl) ester Formula: C22H25BrO5 MolecularWeight: 449.3349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrO5/c1-4-11-27-21(24)16-6-5-7-18(13-16)28-22(25)19-14-17(23)8-9-20(19)26-12-10-15(2)3/h5-9,13-15H,4,10-12H2,1-3H3