(3,5-dimethylphenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: (3,5-dimethylphenyl) 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: (3,5-dimethylphenyl) 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid (3,5-dimethylphenyl) ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CC(=C(C=C2)OCC(C)C)Br)C

InChI

InChI=1S/C19H21BrO3/c1-12(2)11-22-18-6-5-15(10-17(18)20)19(21)23-16-8-13(3)7-14(4)9-16/h5-10,12H,11H2,1-4H3