1-ethyl-6-fluoranyl-7-[4-[[2-(4-methoxyphenyl)-4-methylidene-5-oxidanylidene-oxolan-2-yl]methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[[2-(4-methoxyphenyl)-4-methylidene-5-oxidanylidene-oxolan-2-yl]methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[[2-(4-methoxyphenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[[2-(4-methoxyphenyl)-4-methylene-5-oxo-2-oxolanyl]methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[[2-(4-methoxyphenyl)-4-methylidene-5-oxooxolan-2-yl]methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[[5-keto-2-(4-methoxyphenyl)-4-methylene-tetrahydrofuran-2-yl]methyl]piperazino]quinoline-3-carboxylic acid Formula: C29H30FN3O6 MolecularWeight: 535.563403

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4(CC(=C)C(=O)O4)C5=CC=C(C=C5)OC)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4(CC(=C)C(=O)O4)C5=CC=C(C=C5)OC)F)C(=O)O

InChI

InChI=1S/C29H30FN3O6/c1-4-32-16-22(27(35)36)26(34)21-13-23(30)25(14-24(21)32)33-11-9-31(10-12-33)17-29(15-18(2)28(37)39-29)19-5-7-20(38-3)8-6-19/h5-8,13-14,16H,2,4,9-12,15,17H2,1,3H3,(H,35,36)