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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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