(5-cyano-2-fluoranyl-phenyl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C21H17FN2O4/c1-2-3-8-24-19(25)16-6-5-14(10-17(16)20(24)26)21(27)28-12-15-9-13(11-23)4-7-18(15)22/h4-7,9-10H,2-3,8,12H2,1H3