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

Systemtic Name: 2-[[7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-1-pyrrolidin-3-yl-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-yl-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-(3-pyrrolidinyl)-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-oxo-1-pyrrolidin-3-ylquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[7-(cyclohexylamino)-6-fluoro-4-keto-1-pyrrolidin-3-yl-quinoline-3-carbonyl]amino]acetic acid Formula: C22H27FN4O4 MolecularWeight: 430.472583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC(=O)O)C4CCNC4)F

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC(=O)O)C4CCNC4)F

InChI

InChI=1S/C22H27FN4O4/c23-17-8-15-19(9-18(17)26-13-4-2-1-3-5-13)27(14-6-7-24-10-14)12-16(21(15)30)22(31)25-11-20(28)29/h8-9,12-14,24,26H,1-7,10-11H2,(H,25,31)(H,28,29)