6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; ethanedioic acid

Systemtic Name: 6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; ethanedioic acid Openeye Name: 6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; oxalic acid CAS Name: 6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; oxalic acid IUPAC Name: 6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; oxalic acid Traditional Name: 6,7-dimethoxy-2-[[2-(4-methoxyphenyl)ethylamino]methyl]-1H-quinazolin-4-one; oxalic acid Formula: C22H25N3O8 MolecularWeight: 459.4492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CCNCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O4.C2H2O4/c1-25-14-6-4-13(5-7-14)8-9-21-12-19-22-16-11-18(27-3)17(26-2)10-15(16)20(24)23-19;3-1(4)2(5)6/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,23,24);(H,3,4)(H,5,6)