2-(3-isoquinolin-6-ylphenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]propanoic acid

Systemtic Name: 2-(3-isoquinolin-6-ylphenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]propanoic acid Openeye Name: 2-[3-(6-isoquinolyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methoxy]propanoic acid CAS Name: 2-[3-(6-isoquinolinyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methoxy]propanoic acid IUPAC Name: 2-(3-isoquinolin-6-ylphenyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]propanoic acid Traditional Name: 2-[3-(6-isoquinolyl)phenyl]-2-[4-(trifluoromethyl)benzyl]oxy-propionic acid Formula: C26H20F3NO3 MolecularWeight: 451.43711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)C=NC=C3)(C(=O)O)OCC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)C=NC=C3)(C(=O)O)OCC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H20F3NO3/c1-25(24(31)32,33-16-17-5-9-22(10-6-17)26(27,28)29)23-4-2-3-18(14-23)19-7-8-21-15-30-12-11-20(21)13-19/h2-15H,16H2,1H3,(H,31,32)