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

Systemtic Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methyl-methyl-amino]-2-fluoro-benzoate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methyl-methylamino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methyl-methylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-methyl-amino]benzoic acid tert-butyl ester Formula: C29H36FN3O5 MolecularWeight: 525.611643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H36FN3O5/c1-17-12-24-22(25(34)33(18(2)31-24)16-37-27(36)28(3,4)5)13-19(17)15-32(9)20-10-11-21(23(30)14-20)26(35)38-29(6,7)8/h10-14H,15-16H2,1-9H3