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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(hexoxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[3-(hexoxymethyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C23H32FN3O4 MolecularWeight: 433.516283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCOCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C23H32FN3O4/c1-3-5-6-7-10-31-15-16-13-27(9-8-25-16)21-12-20-17(11-19(21)24)22(28)18(23(29)30)14-26(20)4-2/h11-12,14,16,25H,3-10,13,15H2,1-2H3,(H,29,30)