3-azanyl-5-[2-[2-[[2,4-bis(fluoranyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-azanyl-5-[2-[2-[[2,4-bis(fluoranyl)phenyl]methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoic acid Openeye Name: 3-amino-5-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoic acid CAS Name: 3-amino-5-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]-1-cyclopentenyl]benzoic acid IUPAC Name: 3-amino-5-[2-[2-[(2,4-difluorophenyl)methoxy]-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoic acid Traditional Name: 3-amino-5-[2-[2-(2,4-difluorobenzyl)oxy-5-(trifluoromethyl)phenyl]cyclopenten-1-yl]benzoic acid Formula: C26H20F5NO3 MolecularWeight: 489.433916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20F5NO3/c27-18-6-4-14(23(28)12-18)13-35-24-7-5-17(26(29,30)31)11-22(24)21-3-1-2-20(21)15-8-16(25(33)34)10-19(32)9-15/h4-12H,1-3,13,32H2,(H,33,34)