(2-bromanyl-4-phenyl-phenyl) 4-(4-methylphenoxy)butanoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 4-(4-methylphenoxy)butanoate Openeye Name: (2-bromo-4-phenyl-phenyl) 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid (2-bromo-4-phenyl-phenyl) ester Formula: C23H21BrO3 MolecularWeight: 425.31504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)OC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C23H21BrO3/c1-17-9-12-20(13-10-17)26-15-5-8-23(25)27-22-14-11-19(16-21(22)24)18-6-3-2-4-7-18/h2-4,6-7,9-14,16H,5,8,15H2,1H3