(4-bromanyl-2,6-dimethyl-phenyl) 4-(3-methylbutoxy)benzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-(3-methylbutoxy)benzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-isopentyloxybenzoate CAS Name: 4-(3-methylbutoxy)benzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-(3-methylbutoxy)benzoate Traditional Name: 4-isoamoxybenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C20H23BrO3 MolecularWeight: 391.29882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrO3/c1-13(2)9-10-23-18-7-5-16(6-8-18)20(22)24-19-14(3)11-17(21)12-15(19)4/h5-8,11-13H,9-10H2,1-4H3