2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[3-tert-butyl-4-methoxy-5-(4-oxidanylbutylamino)phenyl]ethanone

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[3-tert-butyl-4-methoxy-5-(4-oxidanylbutylamino)phenyl]ethanone Openeye Name: 1-[3-tert-butyl-5-(4-hydroxybutylamino)-4-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone CAS Name: 1-[3-tert-butyl-5-(4-hydroxybutylamino)-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone IUPAC Name: 1-[3-tert-butyl-5-(4-hydroxybutylamino)-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone Traditional Name: 1-[3-tert-butyl-5-(4-hydroxybutylamino)-4-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone Formula: C29H40FN3O5 MolecularWeight: 529.643403

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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)NCCCCO)OC)C(C)(C)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)NCCCCO)OC)C(C)(C)C)F)OCC

InChI

InChI=1S/C29H40FN3O5/c1-7-37-23-15-19-16-33(28(31)24(19)25(30)27(23)38-8-2)17-22(35)18-13-20(29(3,4)5)26(36-6)21(14-18)32-11-9-10-12-34/h13-15,31-32,34H,7-12,16-17H2,1-6H3