7-[4-(2-azanyl-1-fluoranyl-ethylidene)piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(2-azanyl-1-fluoranyl-ethylidene)piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[4-(2-amino-1-fluoro-ethylidene)-1-piperidyl]-1-cyclopropyl-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[4-(2-amino-1-fluoroethylidene)-1-piperidinyl]-1-cyclopropyl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[4-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[4-(2-amino-1-fluoro-ethylidene)piperidino]-1-cyclopropyl-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(=C(CN)F)CC4

Isomeric SMILES

COC1=C(C=CC2=C1N(C=C(C2=O)C(=O)O)C3CC3)N4CCC(=C(CN)F)CC4

InChI

InChI=1S/C21H24FN3O4/c1-29-20-17(24-8-6-12(7-9-24)16(22)10-23)5-4-14-18(20)25(13-2-3-13)11-15(19(14)26)21(27)28/h4-5,11,13H,2-3,6-10,23H2,1H3,(H,27,28)