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

Systemtic Name: tert-butyl 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoranyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: tert-butyl 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-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-butoxy-2-(2,2-dimethylpropyl)-6-fluoro-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-butoxy-6-fluoro-1-keto-2-neopentyl-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C23H32FNO4 MolecularWeight: 405.502883

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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)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)F)CC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H32FNO4/c1-8-9-12-28-19-17-13-15(24)10-11-16(17)20(26)25(14-22(2,3)4)18(19)21(27)29-23(5,6)7/h10-11,13H,8-9,12,14H2,1-7H3