methyl 2-[3-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-[3-(3-azanylidene-5,6-diethoxy-4-fluoranyl-1H-isoindol-2-yl)-2-ethanoyl-phenyl]-2-methyl-propanoate Openeye Name: methyl 2-[2-acetyl-3-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)phenyl]-2-methyl-propanoate CAS Name: 2-[2-acetyl-3-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[2-acetyl-3-(5,6-diethoxy-4-fluoro-3-imino-1H-isoindol-2-yl)phenyl]-2-methylpropanoate Traditional Name: 2-[2-acetyl-3-(5,6-diethoxy-7-fluoro-1-imino-isoindolin-2-yl)phenyl]-2-methyl-propionic acid methyl ester Formula: C25H29FN2O5 MolecularWeight: 456.506563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C(C)(C)C(=O)OC)F)OCC

Isomeric SMILES

CCOC1=C(C(=C2C(=C1)CN(C2=N)C3=CC=CC(=C3C(=O)C)C(C)(C)C(=O)OC)F)OCC

InChI

InChI=1S/C25H29FN2O5/c1-7-32-18-12-15-13-28(23(27)20(15)21(26)22(18)33-8-2)17-11-9-10-16(19(17)14(3)29)25(4,5)24(30)31-6/h9-12,27H,7-8,13H2,1-6H3