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

Systemtic Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-propan-2-yloxy-benzoate Openeye Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-isopropoxy-benzoate CAS Name: 3-bromo-4-propan-2-yloxybenzoic acid [4-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [4-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-propan-2-yloxybenzoate Traditional Name: 3-bromo-4-isopropoxy-benzoic acid [4-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C26H25BrO5 MolecularWeight: 497.3777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H25BrO5/c1-18(2)31-24-15-12-21(17-23(24)27)26(29)32-22-13-10-20(11-14-22)25(28)30-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18H,6,9,16H2,1-2H3