[4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-propan-2-yloxy-benzoate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromanyl-4-propan-2-yloxy-benzoate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 3-bromo-4-isopropoxy-benzoate CAS Name: 3-bromo-4-propan-2-yloxybenzoic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 3-bromo-4-propan-2-yloxybenzoate Traditional Name: 3-bromo-4-isopropoxy-benzoic acid (4-tert-amylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)C)Br

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC(C)C)Br

InChI

InChI=1S/C21H25BrO3/c1-6-21(4,5)16-8-10-17(11-9-16)25-20(23)15-7-12-19(18(22)13-15)24-14(2)3/h7-14H,6H2,1-5H3