1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)benzimidazol-1-yl]propan-2-ol; ethanedioic acid

Systemtic Name: 1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)benzimidazol-1-yl]propan-2-ol; ethanedioic acid Openeye Name: 1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)benzimidazol-1-yl]propan-2-ol; oxalic acid CAS Name: 1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)-1-benzimidazolyl]-2-propanol; oxalic acid IUPAC Name: 1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)benzimidazol-1-yl]propan-2-ol; oxalic acid Traditional Name: 1-(3,5-dimethylphenoxy)-3-[2-(2-hydroxyethylamino)benzimidazol-1-yl]propan-2-ol; oxalic acid Formula: C22H27N3O7 MolecularWeight: 445.46568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(CN2C3=CC=CC=C3N=C2NCCO)O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(CN2C3=CC=CC=C3N=C2NCCO)O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O3.C2H2O4/c1-14-9-15(2)11-17(10-14)26-13-16(25)12-23-19-6-4-3-5-18(19)22-20(23)21-7-8-24;3-1(4)2(5)6/h3-6,9-11,16,24-25H,7-8,12-13H2,1-2H3,(H,21,22);(H,3,4)(H,5,6)