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

Systemtic Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methylamino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxo-quinazolin-6-yl]methylamino]-2-fluoro-benzoate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-methyl-4-oxo-6-quinazolinyl]methylamino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxoquinazolin-6-yl]methylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[[4-keto-2-methyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methylamino]benzoic acid tert-butyl ester Formula: C27H32FN3O5 MolecularWeight: 497.558483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CNC3=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)CNC3=CC(=C(C=C3)C(=O)OC(C)(C)C)F)C(=O)N1COC(=O)C(C)(C)C

InChI

InChI=1S/C27H32FN3O5/c1-16-30-22-11-8-17(12-20(22)23(32)31(16)15-35-25(34)26(2,3)4)14-29-18-9-10-19(21(28)13-18)24(33)36-27(5,6)7/h8-13,29H,14-15H2,1-7H3