(4-bromanyl-2,6-dimethyl-phenyl) 4-(4-propan-2-ylphenoxy)butanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-(4-propan-2-ylphenoxy)butanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-(4-isopropylphenoxy)butanoate CAS Name: 4-(4-propan-2-ylphenoxy)butanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-(4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropylphenoxy)butyric acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCCOC2=CC=C(C=C2)C(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCCOC2=CC=C(C=C2)C(C)C)C)Br

InChI

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