(4-bromanyl-2,6-dimethyl-phenyl) 4-(2-methylpropoxy)benzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-(2-methylpropoxy)benzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C19H21BrO3 MolecularWeight: 377.27224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)OCC(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)OCC(C)C)C)Br

InChI

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