4-butoxy-2-(2,2-dimethylpropyl)-6-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoro-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoro-1-oxo-3-isoquinolinecarboxylate IUPAC Name: 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoro-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6-fluoro-1-keto-2-neopentyl-isoquinoline-3-carboxylate Formula: C19H23FNO4- MolecularWeight: 348.388623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)F)CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)F)CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C19H24FNO4/c1-5-6-9-25-16-14-10-12(20)7-8-13(14)17(22)21(11-19(2,3)4)15(16)18(23)24/h7-8,10H,5-6,9,11H2,1-4H3,(H,23,24)/p-1