3-[[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]methyl]phenol; ethanedioic acid

Systemtic Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]methyl]phenol; ethanedioic acid Openeye Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]methyl]phenol; oxalic acid CAS Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1-methyl-2-imidazolyl]amino]methyl]phenol; oxalic acid IUPAC Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1-methylimidazol-2-yl]amino]methyl]phenol; oxalic acid Traditional Name: 3-[[[5-(1,3-benzodioxol-5-yl)-1-methyl-imidazol-2-yl]amino]methyl]phenol; oxalic acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1NCC2=CC(=CC=C2)O)C3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C(=CN=C1NCC2=CC(=CC=C2)O)C3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17N3O3.C2H2O4/c1-21-15(13-5-6-16-17(8-13)24-11-23-16)10-20-18(21)19-9-12-3-2-4-14(22)7-12;3-1(4)2(5)6/h2-8,10,22H,9,11H2,1H3,(H,19,20);(H,3,4)(H,5,6)