(4-bromanyl-2,6-dimethyl-phenyl) 2-phenethylbenzoate

Systemtic Name: (4-bromanyl-2,6-dimethyl-phenyl) 2-phenethylbenzoate Openeye Name: (4-bromo-2,6-dimethyl-phenyl) 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid (4-bromo-2,6-dimethylphenyl) ester IUPAC Name: (4-bromo-2,6-dimethylphenyl) 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid (4-bromo-2,6-dimethyl-phenyl) ester Formula: C23H21BrO2 MolecularWeight: 409.31564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C23H21BrO2/c1-16-14-20(24)15-17(2)22(16)26-23(25)21-11-7-6-10-19(21)13-12-18-8-4-3-5-9-18/h3-11,14-15H,12-13H2,1-2H3