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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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