5-[4-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-2-tert-butyl-6-pyrrolidin-1-yl-phenoxy]pentanoic acid

Systemtic Name: 5-[4-[2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)ethanoyl]-2-tert-butyl-6-pyrrolidin-1-yl-phenoxy]pentanoic acid Openeye Name: 5-[2-tert-butyl-4-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-6-pyrrolidin-1-yl-phenoxy]pentanoic acid CAS Name: 5-[2-tert-butyl-4-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-1-oxoethyl]-6-(1-pyrrolidinyl)phenoxy]pentanoic acid IUPAC Name: 5-[2-tert-butyl-4-[2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)acetyl]-6-pyrrolidin-1-ylphenoxy]pentanoic acid Traditional Name: 5-[2-tert-butyl-4-[2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)acetyl]-6-pyrrolidino-phenoxy]valeric acid Formula: C31H40FN3O6 MolecularWeight: 569.664203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)N4CCCC4)OCCCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C(=O)CN2CC3=CC(=C(C(=C3C2=N)F)OC)OC)N4CCCC4)OCCCCC(=O)O

InChI

InChI=1S/C31H40FN3O6/c1-31(2,3)21-14-19(15-22(34-11-7-8-12-34)28(21)41-13-9-6-10-25(37)38)23(36)18-35-17-20-16-24(39-4)29(40-5)27(32)26(20)30(35)33/h14-16,33H,6-13,17-18H2,1-5H3,(H,37,38)