4-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 4-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 4-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 4-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 4-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 4-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]benzoic acid Formula: C25H21ClO3 MolecularWeight: 404.88544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClO3/c26-20-13-14-24(29-16-17-5-2-1-3-6-17)23(15-20)22-8-4-7-21(22)18-9-11-19(12-10-18)25(27)28/h1-3,5-6,9-15H,4,7-8,16H2,(H,27,28)