(2,6-dimethylphenyl) 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: (2,6-dimethylphenyl) 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: (2,6-dimethylphenyl) 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-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=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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