1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methyl-urea; ethanedioic acid

Systemtic Name: 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methyl-urea; ethanedioic acid Openeye Name: 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea; oxalic acid CAS Name: 1-[6-[2-(1-azetidinyl)ethoxy]-4,7-dimethoxy-5-benzofuranyl]-3-methylurea; oxalic acid IUPAC Name: 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea; oxalic acid Traditional Name: 1-[6-[2-(azetidin-1-yl)ethoxy]-4,7-dimethoxy-benzofuran-5-yl]-3-methyl-urea; oxalic acid Formula: C19H25N3O9 MolecularWeight: 439.4165

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCC3)OC)OC=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCC3)OC)OC=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O5.C2H2O4/c1-18-17(21)19-12-13(22-2)11-5-9-24-14(11)16(23-3)15(12)25-10-8-20-6-4-7-20;3-1(4)2(5)6/h5,9H,4,6-8,10H2,1-3H3,(H2,18,19,21);(H,3,4)(H,5,6)