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

Systemtic Name: butyl 3-[2-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: butyl 3-[2-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylate CAS Name: 3-[2-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-1-oxoethyl]phenyl]-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-[2-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: 3-[2-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]phenyl]pyrrolidine-1-carboxylic acid butyl ester Formula: C27H32FN3O5 MolecularWeight: 497.558483

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H32FN3O5/c1-4-5-12-36-27(33)30-11-10-17(14-30)19-8-6-7-9-20(19)21(32)16-31-15-18-13-22(34-2)25(35-3)24(28)23(18)26(31)29/h6-9,13,17,29H,4-5,10-12,14-16H2,1-3H3