(4-phenethyloxycarbonylphenyl) 3-bromanyl-4-propan-2-yloxy-benzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 3-bromanyl-4-propan-2-yloxy-benzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 3-bromo-4-isopropoxy-benzoate CAS Name: 3-bromo-4-propan-2-yloxybenzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 3-bromo-4-propan-2-yloxybenzoate Traditional Name: 3-bromo-4-isopropoxy-benzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C25H23BrO5 MolecularWeight: 483.35112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H23BrO5/c1-17(2)30-23-13-10-20(16-22(23)26)25(28)31-21-11-8-19(9-12-21)24(27)29-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3