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

Systemtic Name: 1-ethenyl-6-fluoranyl-8-methoxy-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylhexyl)-6-fluoro-8-methoxy-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6-fluoro-8-methoxy-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6-fluoro-8-methoxy-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylhexyl)-6-fluoro-4-keto-8-methoxy-1-vinyl-quinoline-3-carboxylic acid Formula: C21H26FNO4 MolecularWeight: 375.433843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO4/c1-5-8-9-10-13(6-2)18-17(21(25)26)20(24)15-11-14(22)12-16(27-4)19(15)23(18)7-3/h7,11-13H,3,5-6,8-10H2,1-2,4H3,(H,25,26)