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

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-fluoranyl-benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-5-fluoro-benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-5-fluorobenzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-fluorobenzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-fluoro-benzoic acid Formula: C25H20ClFO3 MolecularWeight: 422.875903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClFO3/c26-19-9-10-24(30-15-16-5-2-1-3-6-16)23(14-19)22-8-4-7-21(22)17-11-18(25(28)29)13-20(27)12-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,28,29)