2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-2-yl-quinolin-3-yl]carbonylamino]ethylphosphonic acid

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-2-yl-quinolin-3-yl]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[7-(cyclohexylamino)-6-fluoro-1-(1-methylbutyl)-4-oxo-quinoline-3-carbonyl]amino]ethylphosphonic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-2-yl-3-quinolinyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-2-ylquinoline-3-carbonyl]amino]ethylphosphonic acid Traditional Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-keto-1-(1-methylbutyl)quinoline-3-carbonyl]amino]ethylphosphonic acid Formula: C23H33FN3O5P MolecularWeight: 481.497384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NCCP(=O)(O)O

Isomeric SMILES

CCCC(C)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NCCP(=O)(O)O

InChI

InChI=1S/C23H33FN3O5P/c1-3-7-15(2)27-14-18(23(29)25-10-11-33(30,31)32)22(28)17-12-19(24)20(13-21(17)27)26-16-8-5-4-6-9-16/h12-16,26H,3-11H2,1-2H3,(H,25,29)(H2,30,31,32)