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

Systemtic Name: 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-methyl-4-oxidanylidene-3-phenyl-pentanoic acid Openeye Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-2-methyl-4-oxo-3-phenyl-pentanoic acid CAS Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-methyl-4-oxo-3-phenylpentanoic acid IUPAC Name: 2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-2-methyl-4-oxo-3-phenylpentanoic acid Traditional Name: 2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-4-keto-2-methyl-3-phenyl-valeric acid Formula: C24H27FN2O5 MolecularWeight: 442.479983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O5/c1-5-31-17-12-16-13-27(22(26)18(16)20(25)21(17)32-6-2)24(4,23(29)30)19(14(3)28)15-10-8-7-9-11-15/h7-12,19,26H,5-6,13H2,1-4H3,(H,29,30)