(3-methylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (3-methylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: m-tolyl 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid m-tolyl ester Formula: C22H19BrO3 MolecularWeight: 411.28846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrO3/c1-16-6-5-9-19(14-16)26-22(24)20-15-18(23)10-11-21(20)25-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3