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

Systemtic Name: tert-butyl 3-(10-fluoranyl-4-oxidanylidene-9-phenylmethoxy-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-oxidanyl-pentanoate Openeye Name: tert-butyl 3-(9-benzyloxy-10-fluoro-4-oxo-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxy-pentanoate CAS Name: 3-(10-fluoro-4-oxo-9-phenylmethoxy-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-4-oxo-9-phenylmethoxy-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxypentanoate Traditional Name: 3-(9-benzoxy-10-fluoro-4-keto-6,7-dihydro-1H-indolizino[1,2-b]quinolin-10-ium-2-yl)-3-hydroxy-valeric acid tert-butyl ester Formula: C31H34FN2O5+ MolecularWeight: 533.610463

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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)OCC5=CC=CC=C5)O

Isomeric SMILES

CCC(CC(=O)OC(C)(C)C)(C1=CC(=O)C2=NC3=C4CCC=C([N+]4(C=C3C=C2C1)F)OCC5=CC=CC=C5)O

InChI

InChI=1S/C31H34FN2O5/c1-5-31(37,17-27(36)39-30(2,3)4)23-15-21-14-22-18-34(32)24(28(22)33-29(21)25(35)16-23)12-9-13-26(34)38-19-20-10-7-6-8-11-20/h6-8,10-11,13-14,16,18,37H,5,9,12,15,17,19H2,1-4H3/q+1