7-[(3E)-3-(azanylmethylidene)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3E)-3-(azanylmethylidene)-4-oxidanyl-piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3E)-3-(aminomethylene)-4-hydroxy-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3E)-3-(aminomethylidene)-4-hydroxy-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3E)-3-(aminomethylidene)-4-hydroxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3E)-3-(aminomethylene)-4-hydroxy-piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C20H22FN3O5 MolecularWeight: 403.404183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCC(C(=CN)C3)O)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCC(/C(=C/N)/C3)O)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C20H22FN3O5/c1-29-19-16-12(18(26)13(20(27)28)9-24(16)11-2-3-11)6-14(21)17(19)23-5-4-15(25)10(7-22)8-23/h6-7,9,11,15,25H,2-5,8,22H2,1H3,(H,27,28)/b10-7+