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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(methoxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(methoxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(methoxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(methoxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[3-(methoxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C18H22FN3O4 MolecularWeight: 363.383383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)COC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)COC)F)C(=O)O

InChI

InChI=1S/C18H22FN3O4/c1-3-21-9-13(18(24)25)17(23)12-6-14(19)16(7-15(12)21)22-5-4-20-11(8-22)10-26-2/h6-7,9,11,20H,3-5,8,10H2,1-2H3,(H,24,25)