ethanedioic acid; 1-phenylmethoxy-3-[2-[(phenylmethyl)amino]benzimidazol-1-yl]propan-2-ol

Systemtic Name: ethanedioic acid; 1-phenylmethoxy-3-[2-[(phenylmethyl)amino]benzimidazol-1-yl]propan-2-ol Openeye Name: 1-[2-(benzylamino)benzimidazol-1-yl]-3-benzyloxy-propan-2-ol; oxalic acid CAS Name: oxalic acid; 1-phenylmethoxy-3-[2-[(phenylmethyl)amino]-1-benzimidazolyl]-2-propanol IUPAC Name: 1-[2-(benzylamino)benzimidazol-1-yl]-3-phenylmethoxypropan-2-ol; oxalic acid Traditional Name: 1-benzoxy-3-[2-(benzylamino)benzimidazol-1-yl]propan-2-ol; oxalic acid Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CC(COCC4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CC(COCC4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25N3O2.C2H2O4/c28-21(18-29-17-20-11-5-2-6-12-20)16-27-23-14-8-7-13-22(23)26-24(27)25-15-19-9-3-1-4-10-19;3-1(4)2(5)6/h1-14,21,28H,15-18H2,(H,25,26);(H,3,4)(H,5,6)