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

Systemtic Name: butyl 3-[2-[2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)ethanoyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: butyl 3-[2-[2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylate CAS Name: 3-[2-[2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-1-oxoethyl]phenyl]-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-[2-[2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: 3-[2-[2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylic acid butyl ester Formula: C29H36FN3O5 MolecularWeight: 525.611643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(C1)C2=CC=CC=C2C(=O)CN3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

Isomeric SMILES

CCCCOC(=O)N1CCC(C1)C2=CC=CC=C2C(=O)CN3CC4=CC(=C(C(=C4C3=N)F)OCC)OCC

InChI

InChI=1S/C29H36FN3O5/c1-4-7-14-38-29(35)32-13-12-19(16-32)21-10-8-9-11-22(21)23(34)18-33-17-20-15-24(36-5-2)27(37-6-3)26(30)25(20)28(33)31/h8-11,15,19,31H,4-7,12-14,16-18H2,1-3H3