(2-bromanyl-4-methyl-phenyl) 4-phenethyloxybenzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 4-phenethyloxybenzoate Openeye Name: (2-bromo-4-methyl-phenyl) 4-phenethyloxybenzoate CAS Name: 4-phenethyloxybenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 4-phenethyloxybenzoate Traditional Name: 4-phenethyloxybenzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C22H19BrO3 MolecularWeight: 411.28846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrO3/c1-16-7-12-21(20(23)15-16)26-22(24)18-8-10-19(11-9-18)25-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3