(2-methoxyphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (2-methoxyphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (2-methoxyphenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (2-methoxyphenyl) ester Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

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