(3-methylphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (3-methylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: m-tolyl 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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