[1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate dihydrate

Systemtic Name: [1-cyclopropyl-6-fluoranyl-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate dihydrate Openeye Name: [1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidyl]-4-oxo-3-quinolyl] hydrogen carbonate dihydrate CAS Name: carbonic acid [1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)-1-piperidinyl]-4-oxo-3-quinolinyl] ester dihydrate IUPAC Name: [1-cyclopropyl-6-fluoro-8-methoxy-7-[3-(methylamino)piperidin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate dihydrate Traditional Name: carbonic acid [1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[3-(methylamino)piperidino]-3-quinolyl] ester dihydrate Formula: C20H28FN3O7 MolecularWeight: 441.450623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)OC(=O)O)C4CC4)F.O.O

Isomeric SMILES

CNC1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)OC(=O)O)C4CC4)F.O.O

InChI

InChI=1S/C20H24FN3O5.2H2O/c1-22-11-4-3-7-23(9-11)17-14(21)8-13-16(19(17)28-2)24(12-5-6-12)10-15(18(13)25)29-20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2