(3,5-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (3,5-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (3,5-dimethylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (3,5-dimethylphenyl) ester Formula: C23H21BrO3 MolecularWeight: 425.31504

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrO3/c1-16-12-17(2)14-20(13-16)27-23(25)21-15-19(24)8-9-22(21)26-11-10-18-6-4-3-5-7-18/h3-9,12-15H,10-11H2,1-2H3