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

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxidanylidene-2-phenoxy-butanoic acid Openeye Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-3-oxo-2-phenoxy-butanoic acid CAS Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxo-2-phenoxybutanoic acid IUPAC Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-3-oxo-2-phenoxybutanoic acid Traditional Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-3-keto-2-phenoxy-butyric acid Formula: C20H19FN2O6 MolecularWeight: 402.373063

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN2O6/c1-11(24)20(19(25)26,29-13-7-5-4-6-8-13)23-10-12-9-14(27-2)17(28-3)16(21)15(12)18(23)22/h4-9,22H,10H2,1-3H3,(H,25,26)