2-[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[5-acetamido-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C22H27FN4O5 MolecularWeight: 446.471983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O5/c1-3-27-11-14(22(32)24-10-17(29)30)21(31)18-16(27)9-15(19(23)20(18)25-12(2)28)26-13-7-5-4-6-8-13/h9,11,13,26H,3-8,10H2,1-2H3,(H,24,32)(H,25,28)(H,29,30)