butyl 4-[2-[2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)ethanoyl]phenyl]heptadecanoate

Systemtic Name: butyl 4-[2-[2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)ethanoyl]phenyl]heptadecanoate Openeye Name: butyl 4-[2-[2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)acetyl]phenyl]heptadecanoate CAS Name: 4-[2-[2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-oxoethyl]phenyl]heptadecanoic acid butyl ester IUPAC Name: butyl 4-[2-[2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)acetyl]phenyl]heptadecanoate Traditional Name: 4-[2-[2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)acetyl]phenyl]heptadecanoic acid butyl ester Formula: C41H61FN2O5 MolecularWeight: 680.931843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCC(=O)OCCCC)C1=CC=CC=C1C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC

Isomeric SMILES

CCCCCCCCCCCCCC(CCC(=O)OCCCC)C1=CC=CC=C1C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC

InChI

InChI=1S/C41H61FN2O5/c1-5-9-11-12-13-14-15-16-17-18-19-22-31(25-26-37(46)49-27-10-6-2)33-23-20-21-24-34(33)35(45)30-44-29-32-28-36(47-7-3)40(48-8-4)39(42)38(32)41(44)43/h20-21,23-24,28,31,43H,5-19,22,25-27,29-30H2,1-4H3