ethyl (E)-4-[3-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-phenyl]-4-methyl-pent-2-enoate hydrobromide

Systemtic Name: ethyl (E)-4-[3-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-phenyl]-4-methyl-pent-2-enoate hydrobromide Openeye Name: ethyl (E)-4-[2-acetyl-3-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)phenyl]-4-methyl-pent-2-enoate hydrobromide CAS Name: (E)-4-[2-acetyl-3-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)phenyl]-4-methyl-2-pentenoic acid ethyl ester hydrobromide IUPAC Name: ethyl (E)-4-[2-acetyl-3-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)phenyl]-4-methylpent-2-enoate hydrobromide Traditional Name: (E)-4-[2-acetyl-3-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)phenyl]-4-methyl-pent-2-enoic acid ethyl ester hydrobromide Formula: C28H34BrFN2O5 MolecularWeight: 577.482363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C(C)(C)C=CC(=O)OCC)F)OCC.Br

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C(C)(C)/C=C/C(=O)OCC)F)OCC.Br

InChI

InChI=1S/C28H33FN2O5.BrH/c1-7-34-21-15-18-16-31(27(30)24(18)25(29)26(21)36-9-3)20-12-10-11-19(23(20)17(4)32)28(5,6)14-13-22(33)35-8-2;/h10-15,30H,7-9,16H2,1-6H3;1H/b14-13+,30-27?;