(4-bromanyl-2,6-dimethyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)propanoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 3-(4-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C23H29BrO4 MolecularWeight: 449.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2C)Br)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2C)Br)C)OCC

InChI

InChI=1S/C23H29BrO4/c1-5-7-12-27-20-10-8-18(15-21(20)26-6-2)9-11-22(25)28-23-16(3)13-19(24)14-17(23)4/h8,10,13-15H,5-7,9,11-12H2,1-4H3