(4-butan-2-ylphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (4-butan-2-ylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (4-sec-butylphenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (4-butan-2-ylphenyl) ester IUPAC Name: (4-butan-2-ylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (4-sec-butylphenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO3/c1-3-18(2)20-9-12-22(13-10-20)29-25(27)21-11-14-24(23(26)17-21)28-16-15-19-7-5-4-6-8-19/h4-14,17-18H,3,15-16H2,1-2H3