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

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-3-ethyl-4-oxidanylidene-3-phenoxy-2-propan-2-yloxy-pentanoic acid Openeye Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-isopropoxy-4-oxo-3-phenoxy-pentanoic acid CAS Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-3-phenoxy-2-propan-2-yloxypentanoic acid IUPAC Name: 3-ethyl-2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-4-oxo-3-phenoxy-2-propan-2-yloxypentanoic acid Traditional Name: 3-ethyl-2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-isopropoxy-4-keto-3-phenoxy-valeric acid Formula: C26H31FN2O7 MolecularWeight: 502.531943

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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=C3

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=C3

InChI

InChI=1S/C26H31FN2O7/c1-7-25(16(4)30,36-18-11-9-8-10-12-18)26(24(31)32,35-15(2)3)29-14-17-13-19(33-5)22(34-6)21(27)20(17)23(29)28/h8-13,15,28H,7,14H2,1-6H3,(H,31,32)