[3-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid [3-[oxo(3-phenylpropoxy)methyl]phenyl] ester IUPAC Name: [3-(3-phenylpropoxycarbonyl)phenyl] 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid [3-(3-phenylpropoxycarbonyl)phenyl] ester Formula: C31H27BrO5 MolecularWeight: 559.44708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=CC=C2)OC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C31H27BrO5/c32-28-22-26(16-17-29(28)35-20-18-24-11-5-2-6-12-24)31(34)37-27-15-7-14-25(21-27)30(33)36-19-8-13-23-9-3-1-4-10-23/h1-7,9-12,14-17,21-22H,8,13,18-20H2