diethyl 2-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]propanedioate

Systemtic Name: diethyl 2-[4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoylamino]propanedioate Openeye Name: diethyl 2-[4-(8-methyl-4-oxo-quinazolin-3-yl)butanoylamino]propanedioate CAS Name: 2-[[4-(8-methyl-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate Traditional Name: 2-[4-(4-keto-8-methyl-quinazolin-3-yl)butanoylamino]malonic acid diethyl ester Formula: C20H25N3O6 MolecularWeight: 403.429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCCN1C=NC2=C(C1=O)C=CC=C2C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCCN1C=NC2=C(C1=O)C=CC=C2C

InChI

InChI=1S/C20H25N3O6/c1-4-28-19(26)17(20(27)29-5-2)22-15(24)10-7-11-23-12-21-16-13(3)8-6-9-14(16)18(23)25/h6,8-9,12,17H,4-5,7,10-11H2,1-3H3,(H,22,24)