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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=NC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)C=NC=C4)C(F)(F)F

InChI

InChI=1S/C26H20F3NO3/c27-26(28,29)22-7-1-18(2-8-22)16-33-24-9-3-17(4-10-25(31)32)13-23(24)20-5-6-21-15-30-12-11-19(21)14-20/h1-3,5-9,11-15H,4,10,16H2,(H,31,32)