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

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-quinolin-3-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-3-quinolinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-ylquinoline-3-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-quinoline-3-carbonyl]amino]glutaric acid Formula: C26H34FN3O6 MolecularWeight: 503.563063

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCC(CC)N1C=C(C(=O)C2=CC(=C(C=C21)NC3CCCCC3)F)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H34FN3O6/c1-3-16(4-2)30-14-18(25(34)29-20(26(35)36)10-11-23(31)32)24(33)17-12-19(27)21(13-22(17)30)28-15-8-6-5-7-9-15/h12-16,20,28H,3-11H2,1-2H3,(H,29,34)(H,31,32)(H,35,36)