2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one; ethanedioic acid

Systemtic Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one; ethanedioic acid Openeye Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-methyl-amino]methyl]-1H-quinazolin-4-one; oxalic acid CAS Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methylamino]methyl]-1H-quinazolin-4-one; oxalic acid IUPAC Name: 2-[[[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-methylamino]methyl]-1H-quinazolin-4-one; oxalic acid Traditional Name: 2-[[(2-hydroxy-3-piperonyloxy-propyl)-methyl-amino]methyl]-1H-quinazolin-4-one; oxalic acid Formula: C23H25N3O9 MolecularWeight: 487.4593

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(COCC3=CC4=C(C=C3)OCO4)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)CC(COCC3=CC4=C(C=C3)OCO4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3O5.C2H2O4/c1-24(10-20-22-17-5-3-2-4-16(17)21(26)23-20)9-15(25)12-27-11-14-6-7-18-19(8-14)29-13-28-18;3-1(4)2(5)6/h2-8,15,25H,9-13H2,1H3,(H,22,23,26);(H,3,4)(H,5,6)