tert-butyl (2S,3R)-2-[[4,4-bis(fluoranyl)-1,3-bis(oxidanylidene)isoquinolin-6-yl]carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate

Systemtic Name: tert-butyl (2S,3R)-2-[[4,4-bis(fluoranyl)-1,3-bis(oxidanylidene)isoquinolin-6-yl]carbonylamino]-3-[(2-methylpropan-2-yl)oxy]butanoate Openeye Name: tert-butyl (2S,3R)-3-tert-butoxy-2-[(4,4-difluoro-1,3-dioxo-isoquinoline-6-carbonyl)amino]butanoate CAS Name: (2S,3R)-2-[[(4,4-difluoro-1,3-dioxo-6-isoquinolinyl)-oxomethyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-2-[(4,4-difluoro-1,3-dioxoisoquinoline-6-carbonyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoate Traditional Name: (2S,3R)-3-tert-butoxy-2-[(4,4-difluoro-1,3-diketo-isoquinoline-6-carbonyl)amino]butyric acid tert-butyl ester Formula: C22H28F2N2O6 MolecularWeight: 454.464326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)NC(=O)C1=CC2=C(C=C1)C(=O)NC(=O)C2(F)F)OC(C)(C)C

Isomeric SMILES

C[C@H]([C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC2=C(C=C1)C(=O)NC(=O)C2(F)F)OC(C)(C)C

InChI

InChI=1S/C22H28F2N2O6/c1-11(31-20(2,3)4)15(18(29)32-21(5,6)7)25-16(27)12-8-9-13-14(10-12)22(23,24)19(30)26-17(13)28/h8-11,15H,1-7H3,(H,25,27)(H,26,28,30)/t11-,15+/m1/s1