(4-phenethyloxycarbonylphenyl) 3-bromanyl-4-(3-methylbutoxy)benzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 3-bromanyl-4-(3-methylbutoxy)benzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 3-bromo-4-isopentyloxy-benzoate CAS Name: 3-bromo-4-(3-methylbutoxy)benzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 3-bromo-4-(3-methylbutoxy)benzoate Traditional Name: 3-bromo-4-isoamoxy-benzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C27H27BrO5 MolecularWeight: 511.40428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H27BrO5/c1-19(2)14-16-31-25-13-10-22(18-24(25)28)27(30)33-23-11-8-21(9-12-23)26(29)32-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3