(2-phenethyloxyphenyl) 3-bromanyl-4-(3-methylbutoxy)benzoate

Systemtic Name: (2-phenethyloxyphenyl) 3-bromanyl-4-(3-methylbutoxy)benzoate Openeye Name: (2-phenethyloxyphenyl) 3-bromo-4-isopentyloxy-benzoate CAS Name: 3-bromo-4-(3-methylbutoxy)benzoic acid (2-phenethyloxyphenyl) ester IUPAC Name: (2-phenethyloxyphenyl) 3-bromo-4-(3-methylbutoxy)benzoate Traditional Name: 3-bromo-4-isoamoxy-benzoic acid (2-phenethyloxyphenyl) ester Formula: C26H27BrO4 MolecularWeight: 483.39418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrO4/c1-19(2)14-16-29-23-13-12-21(18-22(23)27)26(28)31-25-11-7-6-10-24(25)30-17-15-20-8-4-3-5-9-20/h3-13,18-19H,14-17H2,1-2H3