4-[3-(4-bromanyl-2-phenylmethoxy-phenyl)propyl]benzoic acid

Systemtic Name: 4-[3-(4-bromanyl-2-phenylmethoxy-phenyl)propyl]benzoic acid Openeye Name: 4-[3-(2-benzyloxy-4-bromo-phenyl)propyl]benzoic acid CAS Name: 4-[3-(4-bromo-2-phenylmethoxyphenyl)propyl]benzoic acid IUPAC Name: 4-[3-(4-bromo-2-phenylmethoxyphenyl)propyl]benzoic acid Traditional Name: 4-[3-(2-benzoxy-4-bromo-phenyl)propyl]benzoic acid Formula: C23H21BrO3 MolecularWeight: 425.31504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)CCCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)Br)CCCC3=CC=C(C=C3)C(=O)O

InChI

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