[4-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-(2-methylpropoxy)benzoate

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-(2-methylpropoxy)benzoate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-isobutoxy-benzoate CAS Name: 3-bromo-4-(2-methylpropoxy)benzoic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-(2-methylpropoxy)benzoate Traditional Name: 3-bromo-4-isobutoxy-benzoic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C27H27BrO5 MolecularWeight: 511.40428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

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