(2,5-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (2,5-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (2,5-dimethylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (2,5-dimethylphenyl) ester Formula: C23H21BrO3 MolecularWeight: 425.31504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrO3/c1-16-8-9-17(2)22(14-16)27-23(25)20-15-19(24)10-11-21(20)26-13-12-18-6-4-3-5-7-18/h3-11,14-15H,12-13H2,1-2H3