4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoranyl-benzoic acid

Systemtic Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoranyl-benzoic acid Openeye Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoro-benzoic acid CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-2-fluorobenzoic acid IUPAC Name: 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-2-fluorobenzoic acid Traditional Name: 2-fluoro-4-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid Formula: C27H28FN3O5 MolecularWeight: 493.526723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28FN3O5/c1-7-10-30(19-8-9-20(25(33)34)22(28)13-19)14-18-12-21-23(11-16(18)2)29-17(3)31(24(21)32)15-36-26(35)27(4,5)6/h1,8-9,11-13H,10,14-15H2,2-6H3,(H,33,34)