hexyl 3-[1-cyano-2-(2-fluoranyl-1H-inden-1-yl)-3-oxidanylidene-cyclopropyl]benzoate

Systemtic Name: hexyl 3-[1-cyano-2-(2-fluoranyl-1H-inden-1-yl)-3-oxidanylidene-cyclopropyl]benzoate Openeye Name: hexyl 3-[1-cyano-2-(2-fluoro-1H-inden-1-yl)-3-oxo-cyclopropyl]benzoate CAS Name: 3-[1-cyano-2-(2-fluoro-1H-inden-1-yl)-3-oxocyclopropyl]benzoic acid hexyl ester IUPAC Name: hexyl 3-[1-cyano-2-(2-fluoro-1H-inden-1-yl)-3-oxocyclopropyl]benzoate Traditional Name: 3-[1-cyano-2-(2-fluoro-1H-inden-1-yl)-3-keto-cyclopropyl]benzoic acid hexyl ester Formula: C26H24FNO3 MolecularWeight: 417.472063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC=C1)C2(C(C2=O)C3C4=CC=CC=C4C=C3F)C#N

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC=C1)C2(C(C2=O)C3C4=CC=CC=C4C=C3F)C#N

InChI

InChI=1S/C26H24FNO3/c1-2-3-4-7-13-31-25(30)18-10-8-11-19(14-18)26(16-28)23(24(26)29)22-20-12-6-5-9-17(20)15-21(22)27/h5-6,8-12,14-15,22-23H,2-4,7,13H2,1H3