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

Systemtic Name: 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethylphosphonic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]ethylphosphonic acid CAS Name: 2-[[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]ethylphosphonic acid IUPAC Name: 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]ethylphosphonic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]ethylphosphonic acid Formula: C23H31FN3O5P MolecularWeight: 479.481504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCCP(=O)(O)O)C4CCCC4)F

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCCP(=O)(O)O)C4CCCC4)F

InChI

InChI=1S/C23H31FN3O5P/c24-19-12-17-21(13-20(19)26-15-6-2-1-3-7-15)27(16-8-4-5-9-16)14-18(22(17)28)23(29)25-10-11-33(30,31)32/h12-16,26H,1-11H2,(H,25,29)(H2,30,31,32)