tert-butyl 3-(10-fluoranyl-9-methoxy-4-oxidanylidene-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-oxidanyl-pentanoate

Systemtic Name: tert-butyl 3-(10-fluoranyl-9-methoxy-4-oxidanylidene-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-(10-fluoro-9-methoxy-4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxy-pentanoate CAS Name: 3-(10-fluoro-9-methoxy-4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxypentanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(10-fluoro-9-methoxy-4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxypentanoate Traditional Name: 3-(10-fluoro-4-keto-9-methoxy-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxy-valeric acid tert-butyl ester Formula: C25H30FN2O5+ MolecularWeight: 457.514503

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)C2=NC3=C4CCC=C([N+]4(C=C3C=C2C1)F)OC)O

Isomeric SMILES

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)C2=NC3=C4CCC=C([N+]4(C=C3C=C2C1)F)OC)O

InChI

InChI=1S/C25H30FN2O5/c1-6-25(31,13-21(30)33-24(2,3)4)17-11-15-10-16-14-28(26)18(8-7-9-20(28)32-5)22(16)27-23(15)19(29)12-17/h9-10,12,14,31H,6-8,11,13H2,1-5H3/q+1