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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-3-ethyl-4-oxidanylidene-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3-ethyl-4-oxo-3-phenoxy-2-pyrrolidin-1-yl-pentanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-ethyl-4-oxo-3-phenoxy-2-(1-pyrrolidinyl)pentanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3-ethyl-4-oxo-3-phenoxy-2-pyrrolidin-1-ylpentanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3-ethyl-4-keto-3-phenoxy-2-pyrrolidino-valeric acid Formula: C29H36FN3O6 MolecularWeight: 541.611043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC)OC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)C)(C(C(=O)O)(N1CCCC1)N2CC3=CC(=C(C(=C3C2=N)F)OCC)OCC)OC4=CC=CC=C4

InChI

InChI=1S/C29H36FN3O6/c1-5-28(19(4)34,39-21-13-9-8-10-14-21)29(27(35)36,32-15-11-12-16-32)33-18-20-17-22(37-6-2)25(38-7-3)24(30)23(20)26(33)31/h8-10,13-14,17,31H,5-7,11-12,15-16,18H2,1-4H3,(H,35,36)