(2-fluorophenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (2-fluorophenyl)methyl 2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-fluorophenyl)methyl 2-isopentyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxylic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-isoamyl-1,3-diketo-isoindoline-5-carboxylic acid (2-fluorobenzyl) ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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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=CC=C3F

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=CC=CC=C3F

InChI

InChI=1S/C21H20FNO4/c1-13(2)9-10-23-19(24)16-8-7-14(11-17(16)20(23)25)21(26)27-12-15-5-3-4-6-18(15)22/h3-8,11,13H,9-10,12H2,1-2H3