7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-1-piperidyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-1-piperidinyl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)piperidin-1-yl]-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)piperidino]-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1N3CCCC(C3)CN)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CCOC1=C2C(=CC(=C1N3CCCC(C3)CN)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H26FN3O4/c1-2-29-20-17-14(19(26)15(21(27)28)11-25(17)13-5-6-13)8-16(22)18(20)24-7-3-4-12(9-23)10-24/h8,11-13H,2-7,9-10,23H2,1H3,(H,27,28)