methyl 4-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H21N3O6/c1-28-17-10-15-16(11-18(17)29-2)22-12-24(20(15)26)9-8-19(25)23-14-6-4-13(5-7-14)21(27)30-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,25)