2-[[1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-quinolin-3-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-3-quinolinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-quinoline-3-carbonyl]amino]-3-methyl-butyric acid Formula: C26H29FN4O6 MolecularWeight: 512.530063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C26H29FN4O6/c1-4-29-14-17(24(33)28-22(15(2)3)26(35)36)23(32)16-12-18(27)20(13-19(16)29)30-7-9-31(10-8-30)25(34)21-6-5-11-37-21/h5-6,11-15,22H,4,7-10H2,1-3H3,(H,28,33)(H,35,36)