ethyl 8-(acetyloxymethyl)-1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 8-(acetyloxymethyl)-1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-(acetoxymethyl)-1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 8-(acetyloxymethyl)-1-cyclopropyl-7-(4-ethoxycarbonyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-(acetyloxymethyl)-1-cyclopropyl-7-(4-ethoxycarbonylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 8-(acetoxymethyl)-7-(4-carbethoxypiperazino)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C25H30FN3O7 MolecularWeight: 503.520003

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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(=O)OCC)COC(=O)C)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C(=O)OCC)COC(=O)C)C4CC4

InChI

InChI=1S/C25H30FN3O7/c1-4-34-24(32)18-13-29(16-6-7-16)21-17(23(18)31)12-20(26)22(19(21)14-36-15(3)30)27-8-10-28(11-9-27)25(33)35-5-2/h12-13,16H,4-11,14H2,1-3H3