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

Systemtic Name: 2-(3-azanylidene-6-ethoxy-4-fluoranyl-5-methoxy-1H-isoindol-2-yl)-1-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanone hydrobromide Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(5-ethoxy-7-fluoro-1-imino-6-methoxy-isoindolin-2-yl)ethanone hydrobromide CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(6-ethoxy-4-fluoro-3-imino-5-methoxy-1H-isoindol-2-yl)ethanone hydrobromide IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(6-ethoxy-4-fluoro-3-imino-5-methoxy-1H-isoindol-2-yl)ethanone hydrobromide Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(5-ethoxy-7-fluoro-1-imino-6-methoxy-isoindolin-2-yl)ethanone hydrobromide Formula: C27H36BrFN2O4 MolecularWeight: 551.488143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)F)OC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)F)OC.Br

InChI

InChI=1S/C27H35FN2O4.BrH/c1-9-34-20-12-16-13-30(25(29)21(16)22(28)24(20)33-8)14-19(31)15-10-17(26(2,3)4)23(32)18(11-15)27(5,6)7;/h10-12,29,32H,9,13-14H2,1-8H3;1H