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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC3=CC=CC(=C3)N4CCCC4

Isomeric SMILES

CC(C(=O)C)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC3=CC=CC(=C3)N4CCCC4

InChI

InChI=1S/C26H30FN3O6/c1-15(16(2)31)26(25(32)33,36-19-9-7-8-18(13-19)29-10-5-6-11-29)30-14-17-12-20(34-3)23(35-4)22(27)21(17)24(30)28/h7-9,12-13,15,28H,5-6,10-11,14H2,1-4H3,(H,32,33)