(4-bromanyl-2,6-dimethyl-phenyl) 3-(4-tert-butylphenyl)propanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-(4-tert-butylphenyl)propanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCC2=CC=C(C=C2)C(C)(C)C)C)Br

InChI

InChI=1S/C21H25BrO2/c1-14-12-18(22)13-15(2)20(14)24-19(23)11-8-16-6-9-17(10-7-16)21(3,4)5/h6-7,9-10,12-13H,8,11H2,1-5H3