7-[3-azanyl-4-(2-fluoranylethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-azanyl-4-(2-fluoranylethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-amino-4-(2-fluoroethyl)-1-piperidyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-amino-4-(2-fluoroethyl)-1-piperidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-amino-4-(2-fluoroethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-amino-4-(2-fluoroethyl)piperidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C21H25F2N3O4 MolecularWeight: 421.437706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)9-26(17)12-2-3-12)8-15(23)18(20)25-7-5-11(4-6-22)16(24)10-25/h8-9,11-12,16H,2-7,10,24H2,1H3,(H,28,29)