(4-tert-butyl-2-methyl-phenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C26H27BrO3 MolecularWeight: 467.39478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrO3/c1-18-16-21(26(2,3)4)11-13-23(18)30-25(28)20-10-12-24(22(27)17-20)29-15-14-19-8-6-5-7-9-19/h5-13,16-17H,14-15H2,1-4H3