phenyl 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-3,3-dimethyl-butanoate

Systemtic Name: phenyl 2-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-3,3-dimethyl-butanoate Openeye Name: phenyl 2-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3,3-dimethyl-butanoate CAS Name: 2-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3,3-dimethylbutanoic acid phenyl ester IUPAC Name: phenyl 2-acetyl-2-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)-3,3-dimethylbutanoate Traditional Name: 2-acetyl-2-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)-3,3-dimethyl-butyric acid phenyl ester Formula: C26H31FN2O5 MolecularWeight: 470.533143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)OC3=CC=CC=C3)C(C)(C)C)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C(C(=O)C)(C(=O)OC3=CC=CC=C3)C(C)(C)C)F)OCC

InChI

InChI=1S/C26H31FN2O5/c1-7-32-19-14-17-15-29(23(28)20(17)21(27)22(19)33-8-2)26(16(3)30,25(4,5)6)24(31)34-18-12-10-9-11-13-18/h9-14,28H,7-8,15H2,1-6H3