3-phenylpropyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyloxy]benzoate

Systemtic Name: 3-phenylpropyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyloxy]benzoate Openeye Name: 3-phenylpropyl 4-[2-(2-bromo-4-methyl-phenoxy)acetyl]oxybenzoate CAS Name: 4-[2-(2-bromo-4-methylphenoxy)-1-oxoethoxy]benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[2-(2-bromo-4-methylphenoxy)acetyl]oxybenzoate Traditional Name: 4-[2-(2-bromo-4-methyl-phenoxy)acetyl]oxybenzoic acid 3-phenylpropyl ester Formula: C25H23BrO5 MolecularWeight: 483.35112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C25H23BrO5/c1-18-9-14-23(22(26)16-18)30-17-24(27)31-21-12-10-20(11-13-21)25(28)29-15-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3