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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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