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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)CC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C)(C)CC)Br

InChI

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