1-ethenyl-6,8-bis(fluoranyl)-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethenyl-6,8-bis(fluoranyl)-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylpentyl)-6,8-difluoro-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6,8-difluoro-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6,8-difluoro-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylpentyl)-6,8-difluoro-4-keto-1-vinyl-quinoline-3-carboxylic acid Formula: C19H21F2NO3 MolecularWeight: 349.371746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)F)F)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)F)F)C(=O)O

InChI

InChI=1S/C19H21F2NO3/c1-4-7-8-11(5-2)16-15(19(24)25)18(23)13-9-12(20)10-14(21)17(13)22(16)6-3/h6,9-11H,3-5,7-8H2,1-2H3,(H,24,25)