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

Systemtic Name: 2-[[1-(2-azanylethyl)-7-(cyclohexylamino)-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(2-aminoethyl)-7-(cyclohexylamino)-6-fluoro-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(2-aminoethyl)-7-(cyclohexylamino)-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(2-aminoethyl)-7-(cyclohexylamino)-6-fluoro-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(2-aminoethyl)-7-(cyclohexylamino)-6-fluoro-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C20H25FN4O4 MolecularWeight: 404.435303

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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)CCN)F

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN4O4/c21-15-8-13-17(9-16(15)24-12-4-2-1-3-5-12)25(7-6-22)11-14(19(13)28)20(29)23-10-18(26)27/h8-9,11-12,24H,1-7,10,22H2,(H,23,29)(H,26,27)