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

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

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21N3O6/c1-4-18(25-12-23-16-8-6-5-7-14(16)20(25)27)19(26)24-17-11-13(21(28)30-2)9-10-15(17)22(29)31-3/h5-12,18H,4H2,1-3H3,(H,24,26)