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

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-cinnolin-3-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-cinnoline-3-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-3-cinnolinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-ylcinnoline-3-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-cinnoline-3-carbonyl]amino]glutaric acid Formula: C25H33FN4O6 MolecularWeight: 504.551123

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NC(CCC(=O)O)C(=O)O)F)NC3CCCCC3

Isomeric SMILES

CCC(CC)N1C2=CC(=C(C=C2C(=O)C(=N1)C(=O)NC(CCC(=O)O)C(=O)O)F)NC3CCCCC3

InChI

InChI=1S/C25H33FN4O6/c1-3-15(4-2)30-20-13-19(27-14-8-6-5-7-9-14)17(26)12-16(20)23(33)22(29-30)24(34)28-18(25(35)36)10-11-21(31)32/h12-15,18,27H,3-11H2,1-2H3,(H,28,34)(H,31,32)(H,35,36)