(2,6-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate

Systemtic Name: (2,6-dimethylphenyl) 5-bromanyl-2-phenethyloxy-benzoate Openeye Name: (2,6-dimethylphenyl) 5-bromo-2-phenethyloxy-benzoate CAS Name: 5-bromo-2-phenethyloxybenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 5-bromo-2-phenethyloxybenzoate Traditional Name: 5-bromo-2-phenethyloxy-benzoic acid (2,6-dimethylphenyl) ester Formula: C23H21BrO3 MolecularWeight: 425.31504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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