(2-bromanyl-4-phenyl-phenyl) 4-(4-propan-2-ylphenoxy)butanoate

Systemtic Name: (2-bromanyl-4-phenyl-phenyl) 4-(4-propan-2-ylphenoxy)butanoate Openeye Name: (2-bromo-4-phenyl-phenyl) 4-(4-isopropylphenoxy)butanoate CAS Name: 4-(4-propan-2-ylphenoxy)butanoic acid (2-bromo-4-phenylphenyl) ester IUPAC Name: (2-bromo-4-phenylphenyl) 4-(4-propan-2-ylphenoxy)butanoate Traditional Name: 4-(4-isopropylphenoxy)butyric acid (2-bromo-4-phenyl-phenyl) ester Formula: C25H25BrO3 MolecularWeight: 453.3682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrO3/c1-18(2)19-10-13-22(14-11-19)28-16-6-9-25(27)29-24-15-12-21(17-23(24)26)20-7-4-3-5-8-20/h3-5,7-8,10-15,17-18H,6,9,16H2,1-2H3