tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]-2-fluoranyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(C)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F)C(=O)N1COC(=O)C(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(C)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F)C(=O)N1COC(=O)C(C)(C)C

InChI

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