(3-phenethyloxycarbonylphenyl) 5-bromanyl-2-propoxy-benzoate

Systemtic Name: (3-phenethyloxycarbonylphenyl) 5-bromanyl-2-propoxy-benzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 5-bromo-2-propoxy-benzoate CAS Name: 5-bromo-2-propoxybenzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 5-bromo-2-propoxybenzoate Traditional Name: 5-bromo-2-propoxy-benzoic acid (3-phenethyloxycarbonylphenyl) ester Formula: C25H23BrO5 MolecularWeight: 483.35112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

InChI

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