diethyl 2-[[(6-phenoxyquinazolin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-phenoxyquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-phenoxyquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[(6-phenoxy-4-quinazolinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-phenoxyquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(6-phenoxyquinazolin-4-yl)amino]methylene]malonic acid diethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)OC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)OC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H21N3O5/c1-3-28-21(26)18(22(27)29-4-2)13-23-20-17-12-16(10-11-19(17)24-14-25-20)30-15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H,23,24,25)