2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-5-ethoxy-4-oxidanyl-phenyl)ethanone hydrobromide

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-(3-tert-butyl-5-ethoxy-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3-tert-butyl-5-ethoxy-4-hydroxy-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-(3-tert-butyl-5-ethoxy-4-hydroxyphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3-tert-butyl-5-ethoxy-4-hydroxyphenyl)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3-tert-butyl-5-ethoxy-4-hydroxy-phenyl)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone hydrobromide Formula: C26H34BrFN2O5 MolecularWeight: 553.460963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

Isomeric SMILES

CCOC1=CC(=CC(=C1O)C(C)(C)C)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC.Br

InChI

InChI=1S/C26H33FN2O5.BrH/c1-7-32-19-11-15(10-17(23(19)31)26(4,5)6)18(30)14-29-13-16-12-20(33-8-2)24(34-9-3)22(27)21(16)25(29)28;/h10-12,28,31H,7-9,13-14H2,1-6H3;1H