(E)-2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-4,4-dimethyl-5-oxidanylidene-3-phenyl-hex-2-enoic acid

Systemtic Name: (E)-2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-4,4-dimethyl-5-oxidanylidene-3-phenyl-hex-2-enoic acid Openeye Name: (E)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-4,4-dimethyl-5-oxo-3-phenyl-hex-2-enoic acid CAS Name: (E)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-4,4-dimethyl-5-oxo-3-phenyl-2-hexenoic acid IUPAC Name: (E)-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-4,4-dimethyl-5-oxo-3-phenylhex-2-enoic acid Traditional Name: (E)-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-5-keto-4,4-dimethyl-3-phenyl-hex-2-enoic acid Formula: C26H29FN2O5 MolecularWeight: 468.517263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O5/c1-6-33-18-13-17-14-29(24(28)19(17)21(27)23(18)34-7-2)22(25(31)32)20(26(4,5)15(3)30)16-11-9-8-10-12-16/h8-13,28H,6-7,14H2,1-5H3,(H,31,32)/b22-20+,28-24?