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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-1-[3-tert-butyl-4-methoxy-5-(4-oxidanylpiperidin-1-yl)phenyl]ethanone Openeye Name: 1-[3-tert-butyl-5-(4-hydroxy-1-piperidyl)-4-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone CAS Name: 1-[3-tert-butyl-5-(4-hydroxy-1-piperidinyl)-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone IUPAC Name: 1-[3-tert-butyl-5-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)ethanone Traditional Name: 1-[3-tert-butyl-5-(4-hydroxypiperidino)-4-methoxy-phenyl]-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)ethanone Formula: C30H40FN3O5 MolecularWeight: 541.654103

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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)N4CCC(CC4)O)OC)C(C)(C)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C(C(=C3)N4CCC(CC4)O)OC)C(C)(C)C)F)OCC

InChI

InChI=1S/C30H40FN3O5/c1-7-38-24-15-19-16-34(29(32)25(19)26(31)28(24)39-8-2)17-23(36)18-13-21(30(3,4)5)27(37-6)22(14-18)33-11-9-20(35)10-12-33/h13-15,20,32,35H,7-12,16-17H2,1-6H3