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

Systemtic Name: 1-tert-butyl-6-fluoranyl-8-methoxy-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-tert-butyl-2-(1-ethylhexyl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-tert-butyl-6-fluoro-8-methoxy-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-tert-butyl-6-fluoro-8-methoxy-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-tert-butyl-2-(1-ethylhexyl)-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H32FNO4 MolecularWeight: 405.502883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32FNO4/c1-7-9-10-11-14(8-2)19-18(22(27)28)21(26)16-12-15(24)13-17(29-6)20(16)25(19)23(3,4)5/h12-14H,7-11H2,1-6H3,(H,27,28)