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

Systemtic Name: 7-[3-(dodecoxymethyl)piperazin-1-yl]-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(dodecoxymethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(dodecoxymethyl)-1-piperazinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(dodecoxymethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(lauryloxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C29H44FN3O4 MolecularWeight: 517.675763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCCCCCCCOCC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C29H44FN3O4/c1-3-5-6-7-8-9-10-11-12-13-16-37-21-22-19-33(15-14-31-22)27-18-26-23(17-25(27)30)28(34)24(29(35)36)20-32(26)4-2/h17-18,20,22,31H,3-16,19,21H2,1-2H3,(H,35,36)