2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-indol-1-yl-3,3-dimethyl-5-oxidanylidene-hexanoic acid

Systemtic Name: 2-(3-azanylidene-4-fluoranyl-5,6-dimethoxy-1H-isoindol-2-yl)-2-indol-1-yl-3,3-dimethyl-5-oxidanylidene-hexanoic acid Openeye Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-indol-1-yl-3,3-dimethyl-5-oxo-hexanoic acid CAS Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-(1-indolyl)-3,3-dimethyl-5-oxohexanoic acid IUPAC Name: 2-(4-fluoro-3-imino-5,6-dimethoxy-1H-isoindol-2-yl)-2-indol-1-yl-3,3-dimethyl-5-oxohexanoic acid Traditional Name: 2-(7-fluoro-1-imino-5,6-dimethoxy-isoindolin-2-yl)-2-indol-1-yl-5-keto-3,3-dimethyl-hexanoic acid Formula: C26H28FN3O5 MolecularWeight: 481.516023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)N3C=CC4=CC=CC=C43

Isomeric SMILES

CC(=O)CC(C)(C)C(C(=O)O)(N1CC2=CC(=C(C(=C2C1=N)F)OC)OC)N3C=CC4=CC=CC=C43

InChI

InChI=1S/C26H28FN3O5/c1-15(31)13-25(2,3)26(24(32)33,29-11-10-16-8-6-7-9-18(16)29)30-14-17-12-19(34-4)22(35-5)21(27)20(17)23(30)28/h6-12,28H,13-14H2,1-5H3,(H,32,33)