3-bromanyl-2-[3-(2-phenylmethoxyphenyl)propyl]benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(2-phenylmethoxyphenyl)propyl]benzoic acid Openeye Name: 2-[3-(2-benzyloxyphenyl)propyl]-3-bromo-benzoic acid CAS Name: 3-bromo-2-[3-(2-phenylmethoxyphenyl)propyl]benzoic acid IUPAC Name: 3-bromo-2-[3-(2-phenylmethoxyphenyl)propyl]benzoic acid Traditional Name: 2-[3-(2-benzoxyphenyl)propyl]-3-bromo-benzoic acid Formula: C23H21BrO3 MolecularWeight: 425.31504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCCC3=C(C=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCCC3=C(C=CC=C3Br)C(=O)O

InChI

InChI=1S/C23H21BrO3/c24-21-14-7-13-20(23(25)26)19(21)12-6-11-18-10-4-5-15-22(18)27-16-17-8-2-1-3-9-17/h1-5,7-10,13-15H,6,11-12,16H2,(H,25,26)