4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)propyl]benzoate

Systemtic Name: 4-[3-(5-bromanyl-2-phenylmethoxy-phenyl)propyl]benzoate Openeye Name: 4-[3-(2-benzyloxy-5-bromo-phenyl)propyl]benzoate CAS Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]benzoate IUPAC Name: 4-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-(2-benzoxy-5-bromo-phenyl)propyl]benzoate Formula: C23H20BrO3- MolecularWeight: 424.3071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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