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

Systemtic Name: [[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxidanylidene-quinazolin-6-yl]methyl-prop-2-ynyl-amino] benzoate Openeye Name: [[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxo-quinazolin-6-yl]methyl-prop-2-ynyl-amino] benzoate CAS Name: benzoic acid [[3-[(2,2-dimethyl-1-oxopropoxy)methyl]-2-methyl-4-oxo-6-quinazolinyl]methyl-prop-2-ynylamino] ester IUPAC Name: [[3-(2,2-dimethylpropanoyloxymethyl)-2-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino] benzoate Traditional Name: benzoic acid [[4-keto-2-methyl-3-(pivaloyloxymethyl)quinazolin-6-yl]methyl-propargyl-amino] ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5/c1-6-14-28(34-24(31)20-10-8-7-9-11-20)16-19-12-13-22-21(15-19)23(30)29(18(2)27-22)17-33-25(32)26(3,4)5/h1,7-13,15H,14,16-17H2,2-5H3