4-[3-fluoranyl-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxane-4-carboxylic acid

Systemtic Name: 4-[3-fluoranyl-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxane-4-carboxylic acid Openeye Name: 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]tetrahydropyran-4-carboxylic acid CAS Name: 4-[3-fluoro-5-[[4-(2-methyl-1-imidazolyl)phenyl]methoxy]phenyl]-4-oxanecarboxylic acid IUPAC Name: 4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxane-4-carboxylic acid Traditional Name: 4-[3-fluoro-5-[4-(2-methylimidazol-1-yl)benzyl]oxy-phenyl]tetrahydropyran-4-carboxylic acid Formula: C23H23FN2O4 MolecularWeight: 410.438123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)C(=O)O)F

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)C(=O)O)F

InChI

InChI=1S/C23H23FN2O4/c1-16-25-8-9-26(16)20-4-2-17(3-5-20)15-30-21-13-18(12-19(24)14-21)23(22(27)28)6-10-29-11-7-23/h2-5,8-9,12-14H,6-7,10-11,15H2,1H3,(H,27,28)