dimethyl 2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[4-(4-oxidanylidenequinazolin-3-yl)butanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-4-(4-oxo-3-quinazolinyl)butyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(4-oxoquinazolin-3-yl)butanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[4-(4-ketoquinazolin-3-yl)butanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21N3O6/c1-30-21(28)14-9-10-16(22(29)31-2)18(12-14)24-19(26)8-5-11-25-13-23-17-7-4-3-6-15(17)20(25)27/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,24,26)