2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-(3,5-dibutyl-4-oxidanyl-phenyl)ethanone

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-1-(3,5-dibutyl-4-oxidanyl-phenyl)ethanone Openeye Name: 1-(3,5-dibutyl-4-hydroxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone CAS Name: 1-(3,5-dibutyl-4-hydroxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone IUPAC Name: 1-(3,5-dibutyl-4-hydroxyphenyl)-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)ethanone Traditional Name: 1-(3,5-dibutyl-4-hydroxy-phenyl)-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)ethanone Formula: C26H33FN2O4 MolecularWeight: 456.549623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)CCCC)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)CCCC)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC

InChI

InChI=1S/C26H33FN2O4/c1-5-7-9-16-11-18(12-17(24(16)31)10-8-6-2)20(30)15-29-14-19-13-21(32-3)25(33-4)23(27)22(19)26(29)28/h11-13,28,31H,5-10,14-15H2,1-4H3