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

Systemtic Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoranyl-benzoate Openeye Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]-2-fluoro-benzoate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2,7-dimethyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]-2-fluorobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2,2-dimethylpropanoyloxymethyl)-2,7-dimethyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-2-fluorobenzoate Traditional Name: 2-fluoro-4-[[4-keto-2,7-dimethyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C31H36FN3O5 MolecularWeight: 549.633043

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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)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(CC#C)C3=CC(=C(C=C3)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C31H36FN3O5/c1-10-13-34(22-11-12-23(25(32)16-22)28(37)40-31(7,8)9)17-21-15-24-26(14-19(21)2)33-20(3)35(27(24)36)18-39-29(38)30(4,5)6/h1,11-12,14-16H,13,17-18H2,2-9H3