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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-3-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-oxo-2-[3-(1-pyrrolidinyl)phenoxy]butanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-oxo-2-(3-pyrrolidin-1-ylphenoxy)butanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3-keto-2-(3-pyrrolidinophenoxy)butyric acid Formula: C26H30FN3O6 MolecularWeight: 499.531303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)O)OC3=CC=CC(=C3)N4CCCC4)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)O)OC3=CC=CC(=C3)N4CCCC4)F)OCC

InChI

InChI=1S/C26H30FN3O6/c1-4-34-20-13-17-15-30(24(28)21(17)22(27)23(20)35-5-2)26(16(3)31,25(32)33)36-19-10-8-9-18(14-19)29-11-6-7-12-29/h8-10,13-14,28H,4-7,11-12,15H2,1-3H3,(H,32,33)