tert-butyl 4-[[2-(acetyloxymethyl)-7-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate

Systemtic Name: tert-butyl 4-[[2-(acetyloxymethyl)-7-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate Openeye Name: tert-butyl 4-[[2-(acetoxymethyl)-7-chloro-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynyl-amino]benzoate CAS Name: 4-[[2-(acetyloxymethyl)-7-chloro-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(acetyloxymethyl)-7-chloro-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]benzoate Traditional Name: 4-[[2-(acetoxymethyl)-7-chloro-4-keto-1H-quinazolin-6-yl]methyl-propargyl-amino]benzoic acid tert-butyl ester Formula: C26H26ClN3O5 MolecularWeight: 495.95474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC(=O)C2=CC(=C(C=C2N1)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=NC(=O)C2=CC(=C(C=C2N1)Cl)CN(CC#C)C3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H26ClN3O5/c1-6-11-30(19-9-7-17(8-10-19)25(33)35-26(3,4)5)14-18-12-20-22(13-21(18)27)28-23(29-24(20)32)15-34-16(2)31/h1,7-10,12-13H,11,14-15H2,2-5H3,(H,28,29,32)