tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methylamino]-2-fluoranyl-benzoate

Systemtic Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methylamino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methylamino]-2-fluoro-benzoate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methylamino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methylamino]benzoic acid tert-butyl ester Formula: C28H34FN3O5 MolecularWeight: 511.585063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)CNC3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C2C(=C1)N=C(N(C2=O)COC(=O)C(C)(C)C)C)CNC3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C28H34FN3O5/c1-16-11-23-21(24(33)32(17(2)31-23)15-36-26(35)27(3,4)5)12-18(16)14-30-19-9-10-20(22(29)13-19)25(34)37-28(6,7)8/h9-13,30H,14-15H2,1-8H3