tert-butyl 7-fluoranyl-1,4-bis(oxidanylidene)-2-pentyl-3H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 7-fluoranyl-1,4-bis(oxidanylidene)-2-pentyl-3H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 7-fluoro-1,4-dioxo-2-pentyl-3H-isoquinoline-3-carboxylate CAS Name: 7-fluoro-1,4-dioxo-2-pentyl-3H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-fluoro-1,4-dioxo-2-pentyl-3H-isoquinoline-3-carboxylate Traditional Name: 2-amyl-7-fluoro-1,4-diketo-3H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C19H24FNO4 MolecularWeight: 349.396563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(C(=O)C2=C(C1=O)C=C(C=C2)F)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCN1C(C(=O)C2=C(C1=O)C=C(C=C2)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H24FNO4/c1-5-6-7-10-21-15(18(24)25-19(2,3)4)16(22)13-9-8-12(20)11-14(13)17(21)23/h8-9,11,15H,5-7,10H2,1-4H3