4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-methyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxo-quinazolin-6-yl]methyl-methyl-amino]-2-fluoro-benzoic acid CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-methyl-4-oxo-6-quinazolinyl]methyl-methylamino]-2-fluorobenzoic acid IUPAC Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxoquinazolin-6-yl]methyl-methylamino]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[[4-keto-2-methyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-methyl-amino]benzoic acid Formula: C24H26FN3O5 MolecularWeight: 455.478743

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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)O)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)O)F)C(=O)N1COC(=O)C(C)(C)C

InChI

InChI=1S/C24H26FN3O5/c1-14-26-20-9-6-15(12-27(5)16-7-8-17(22(30)31)19(25)11-16)10-18(20)21(29)28(14)13-33-23(32)24(2,3)4/h6-11H,12-13H2,1-5H3,(H,30,31)