1-ethenyl-6-fluoranyl-2-heptan-3-yl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethenyl-6-fluoranyl-2-heptan-3-yl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylpentyl)-6-fluoro-8-methoxy-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6-fluoro-2-heptan-3-yl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6-fluoro-2-heptan-3-yl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylpentyl)-6-fluoro-4-keto-8-methoxy-1-vinyl-quinoline-3-carboxylic acid Formula: C20H24FNO4 MolecularWeight: 361.407263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO4/c1-5-8-9-12(6-2)17-16(20(24)25)19(23)14-10-13(21)11-15(26-4)18(14)22(17)7-3/h7,10-12H,3,5-6,8-9H2,1-2,4H3,(H,24,25)