(3-fluoranyl-4-methoxy-phenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H22FNO5 MolecularWeight: 399.412183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H22FNO5/c1-13(2)8-9-24-20(25)16-6-5-15(11-17(16)21(24)26)22(27)29-12-14-4-7-19(28-3)18(23)10-14/h4-7,10-11,13H,8-9,12H2,1-3H3