1-ethyl-6-fluoranyl-7-[4-[2-(2-methoxyphenoxy)ethanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[2-(2-methoxyphenoxy)ethanoyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[2-(2-methoxyphenoxy)-1-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[2-(2-methoxyphenoxy)acetyl]piperazino]quinoline-3-carboxylic acid Formula: C25H26FN3O6 MolecularWeight: 483.488843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=CC=C4OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)COC4=CC=CC=C4OC)F)C(=O)O

InChI

InChI=1S/C25H26FN3O6/c1-3-27-14-17(25(32)33)24(31)16-12-18(26)20(13-19(16)27)28-8-10-29(11-9-28)23(30)15-35-22-7-5-4-6-21(22)34-2/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,32,33)