ethyl 1-(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(2-ethoxy-2-oxidanylidene-1-phenyl-ethyl)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(2-ethoxy-2-oxo-1-phenyl-ethyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-(2-ethoxy-2-oxo-1-phenylethyl)-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethoxy-2-oxo-1-phenylethyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-(2-ethoxy-2-keto-1-phenyl-ethyl)-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C27H29F2N3O5 MolecularWeight: 513.533066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)F)C(C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)F)C(C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H29F2N3O5/c1-4-36-26(34)19-16-32(22(27(35)37-5-2)17-9-7-6-8-10-17)23-18(25(19)33)15-20(28)24(21(23)29)31-13-11-30(3)12-14-31/h6-10,15-16,22H,4-5,11-14H2,1-3H3