2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Openeye Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid CAS Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxo-2-[3-(1-pyrrolidinyl)phenoxy]butanoic acid IUPAC Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Traditional Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-3-keto-2-(3-pyrrolidinophenoxy)butyric acid Formula: C24H26FN3O6 MolecularWeight: 471.478143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC3=CC=CC(=C3)N4CCCC4

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC3=CC=CC(=C3)N4CCCC4

InChI

InChI=1S/C24H26FN3O6/c1-14(29)24(23(30)31,34-17-8-6-7-16(12-17)27-9-4-5-10-27)28-13-15-11-18(32-2)21(33-3)20(25)19(15)22(28)26/h6-8,11-12,26H,4-5,9-10,13H2,1-3H3,(H,30,31)