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

Systemtic Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]ethylphosphonic acid CAS Name: 2-[[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]ethylphosphonic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]ethylphosphonic acid Formula: C20H27FN3O5P MolecularWeight: 439.417644

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NCCP(=O)(O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NCCP(=O)(O)O

InChI

InChI=1S/C20H27FN3O5P/c1-2-24-12-15(20(26)22-8-9-30(27,28)29)19(25)14-10-16(21)17(11-18(14)24)23-13-6-4-3-5-7-13/h10-13,23H,2-9H2,1H3,(H,22,26)(H2,27,28,29)