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

Systemtic Name: 2-[[7-(cyclohexylamino)-1-(1-ethanoylpyrrolidin-3-yl)-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(1-acetylpyrrolidin-3-yl)-7-(cyclohexylamino)-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(1-acetyl-3-pyrrolidinyl)-7-(cyclohexylamino)-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(1-acetylpyrrolidin-3-yl)-7-(cyclohexylamino)-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(1-acetylpyrrolidin-3-yl)-7-(cyclohexylamino)-6-fluoro-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C24H29FN4O5 MolecularWeight: 472.509263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C1)N2C=C(C(=O)C3=CC(=C(C=C32)NC4CCCCC4)F)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)N1CCC(C1)N2C=C(C(=O)C3=CC(=C(C=C32)NC4CCCCC4)F)C(=O)NCC(=O)O

InChI

InChI=1S/C24H29FN4O5/c1-14(30)28-8-7-16(12-28)29-13-18(24(34)26-11-22(31)32)23(33)17-9-19(25)20(10-21(17)29)27-15-5-3-2-4-6-15/h9-10,13,15-16,27H,2-8,11-12H2,1H3,(H,26,34)(H,31,32)