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

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pentan-3-yl-quinolin-3-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-yl-3-quinolinyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pentan-3-ylquinoline-3-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[7-(cyclohexylamino)-1-(1-ethylpropyl)-6-fluoro-4-keto-quinoline-3-carbonyl]amino]-2-methyl-propionic acid Formula: C25H34FN3O4 MolecularWeight: 459.553563

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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(C)(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H34FN3O4/c1-5-16(6-2)29-14-18(23(31)28-25(3,4)24(32)33)22(30)17-12-19(26)20(13-21(17)29)27-15-10-8-7-9-11-15/h12-16,27H,5-11H2,1-4H3,(H,28,31)(H,32,33)