7-[4-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-[1,2-bis(oxidanyl)ethyl]piperidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)-1-piperidyl]-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)-1-piperidinyl]-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-(1,2-dihydroxyethyl)piperidino]-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H25FN2O5 MolecularWeight: 404.432003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(CC3)C(CO)O)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(CC3)C(CO)O)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C21H25FN2O5/c1-11-18-14(20(27)15(21(28)29)9-24(18)13-2-3-13)8-16(22)19(11)23-6-4-12(5-7-23)17(26)10-25/h8-9,12-13,17,25-26H,2-7,10H2,1H3,(H,28,29)