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

Systemtic Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoro-benzoic acid CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-2-fluorobenzoic acid IUPAC Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[[4-keto-2-methyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid Formula: C26H26FN3O5 MolecularWeight: 479.500143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26FN3O5/c1-6-11-29(18-8-9-19(24(32)33)21(27)13-18)14-17-7-10-22-20(12-17)23(31)30(16(2)28-22)15-35-25(34)26(3,4)5/h1,7-10,12-13H,11,14-15H2,2-5H3,(H,32,33)