3-[2,6-bis(fluoranyl)phenyl]-5-hexyl-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-5-hexyl-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(2,6-difluorophenyl)-5-hexyl-isoxazole-4-carboxylic acid CAS Name: 3-(2,6-difluorophenyl)-5-hexyl-4-isoxazolecarboxylic acid IUPAC Name: 3-(2,6-difluorophenyl)-5-hexyl-1,2-oxazole-4-carboxylic acid Traditional Name: 3-(2,6-difluorophenyl)-5-hexyl-isoxazole-4-carboxylic acid Formula: C16H17F2NO3 MolecularWeight: 309.307886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=NO1)C2=C(C=CC=C2F)F)C(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=NO1)C2=C(C=CC=C2F)F)C(=O)O

InChI

InChI=1S/C16H17F2NO3/c1-2-3-4-5-9-12-14(16(20)21)15(19-22-12)13-10(17)7-6-8-11(13)18/h6-8H,2-5,9H2,1H3,(H,20,21)