(4-bromanyl-2,6-dimethyl-phenyl) 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 4-(3-methyl-4-propan-2-yl-phenoxy)butanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 4-(4-isopropyl-3-methyl-phenoxy)butanoate CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)butanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 4-(3-methyl-4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropyl-3-methyl-phenoxy)butyric acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrO3/c1-14(2)20-9-8-19(13-15(20)3)25-10-6-7-21(24)26-22-16(4)11-18(23)12-17(22)5/h8-9,11-14H,6-7,10H2,1-5H3