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

Systemtic Name: methyl 3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]benzoate Openeye Name: methyl 3-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]benzoate CAS Name: 3-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]benzoate Traditional Name: 3-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O6/c1-29-18-11-16-17(12-19(18)30-2)23-13-25(21(16)27)9-5-8-20(26)24-15-7-4-6-14(10-15)22(28)31-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,24,26)