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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-3-methyl-4-oxidanylidene-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3-methyl-4-oxo-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-methyl-4-oxo-2-[3-(1-pyrrolidinyl)phenoxy]pentanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-methyl-4-oxo-2-(3-pyrrolidin-1-ylphenoxy)pentanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-4-keto-3-methyl-2-(3-pyrrolidinophenoxy)valeric acid Formula: C28H34FN3O6 MolecularWeight: 527.584463

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H34FN3O6/c1-5-36-22-14-19-16-32(26(30)23(19)24(29)25(22)37-6-2)28(27(34)35,17(3)18(4)33)38-21-11-9-10-20(15-21)31-12-7-8-13-31/h9-11,14-15,17,30H,5-8,12-13,16H2,1-4H3,(H,34,35)