1-cyclopropyl-7-[4-(ethylaminomethyl)-4-oxidanyl-piperidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1(CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)O

Isomeric SMILES

CCNCC1(CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)O

InChI

InChI=1S/C21H26FN3O4/c1-2-23-12-21(29)5-7-24(8-6-21)18-10-17-14(9-16(18)22)19(26)15(20(27)28)11-25(17)13-3-4-13/h9-11,13,23,29H,2-8,12H2,1H3,(H,27,28)