3-bromanyl-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid Openeye Name: 4-[2-(2-benzyloxyphenyl)ethyl]-3-bromo-benzoic acid CAS Name: 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid IUPAC Name: 3-bromo-4-[2-(2-phenylmethoxyphenyl)ethyl]benzoic acid Traditional Name: 4-[2-(2-benzoxyphenyl)ethyl]-3-bromo-benzoic acid Formula: C22H19BrO3 MolecularWeight: 411.28846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCC3=C(C=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCC3=C(C=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C22H19BrO3/c23-20-14-19(22(24)25)13-11-17(20)10-12-18-8-4-5-9-21(18)26-15-16-6-2-1-3-7-16/h1-9,11,13-14H,10,12,15H2,(H,24,25)