(3,4-dimethylphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (3,4-dimethylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (3,4-dimethylphenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid (3,4-dimethylphenyl) ester Formula: C23H21BrO3 MolecularWeight: 425.31504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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