tert-butyl 4-[[2-(acetyloxymethyl)-7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[2-(acetyloxymethyl)-7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[2-(acetoxymethyl)-7-chloro-3-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[2-(acetyloxymethyl)-7-chloro-3-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(acetyloxymethyl)-7-chloro-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[2-(acetoxymethyl)-7-chloro-4-keto-3-methyl-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C27H28ClN3O5 MolecularWeight: 509.98132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC(=O)OCC1=NC2=CC(=C(C=C2C(=O)N1C)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C27H28ClN3O5/c1-7-12-31(20-10-8-18(9-11-20)26(34)36-27(3,4)5)15-19-13-21-23(14-22(19)28)29-24(16-35-17(2)32)30(6)25(21)33/h1,8-11,13-14H,12,15-16H2,2-6H3