3-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-bromo-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-bromo-phenyl)cyclopenten-1-yl]benzoic acid Formula: C25H21BrO3 MolecularWeight: 449.33644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C25H21BrO3/c26-20-12-13-24(29-16-17-6-2-1-3-7-17)23(15-20)22-11-5-10-21(22)18-8-4-9-19(14-18)25(27)28/h1-4,6-9,12-15H,5,10-11,16H2,(H,27,28)