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

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-ethyl-4-oxidanylidene-2-propan-2-yloxy-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid Openeye Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-isopropoxy-4-oxo-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid CAS Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-2-propan-2-yloxy-3-[2-(1-pyrrolidinyl)phenoxy]pentanoic acid IUPAC Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-2-propan-2-yloxy-3-(2-pyrrolidin-1-ylphenoxy)pentanoic acid Traditional Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-isopropoxy-4-keto-3-(2-pyrrolidinophenoxy)valeric acid Formula: C30H38FN3O7 MolecularWeight: 571.637023

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C)(C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC(C)C)OC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CCC(C(=O)C)(C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)OC(C)C)OC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C30H38FN3O7/c1-7-29(19(4)35,41-22-13-9-8-12-21(22)33-14-10-11-15-33)30(28(36)37,40-18(2)3)34-17-20-16-23(38-5)26(39-6)25(31)24(20)27(34)32/h8-9,12-13,16,18,32H,7,10-11,14-15,17H2,1-6H3,(H,36,37)