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

Systemtic Name: (2-methylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: o-tolyl 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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