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

Systemtic Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O4/c1-2-24-11-14(20(28)22-10-18(25)26)19(27)13-8-15(21)16(9-17(13)24)23-12-6-4-3-5-7-12/h8-9,11-12,23H,2-7,10H2,1H3,(H,22,28)(H,25,26)