(4-methoxyphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (4-methoxyphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (4-methoxyphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (4-methoxyphenyl) ester Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrO4/c1-25-18-8-10-19(11-9-18)27-22(24)20-15-17(23)7-12-21(20)26-14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3