methyl 4,5-dimethoxy-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate Traditional Name: 2-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)OC

InChI

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