(3,5-dimethylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: (3,5-dimethylphenyl) 4-(2-bromanyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (3,5-dimethylphenyl) 4-(2-bromo-4-isopropyl-phenoxy)butanoate CAS Name: 4-(2-bromo-4-propan-2-ylphenoxy)butanoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-(2-bromo-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(2-bromo-4-isopropyl-phenoxy)butyric acid (3,5-dimethylphenyl) ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CCCOC2=C(C=C(C=C2)C(C)C)Br)C

InChI

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