2-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]benzonitrile; oxalic acid CAS Name: 2-[3-(5,6-dimethyl-1-benzimidazolyl)propoxy]benzonitrile; oxalic acid IUPAC Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]benzonitrile; oxalic acid Traditional Name: 2-[3-(5,6-dimethylbenzimidazol-1-yl)propoxy]benzonitrile; oxalic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)CCCOC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)CCCOC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H19N3O.C2H2O4/c1-14-10-17-18(11-15(14)2)22(13-21-17)8-5-9-23-19-7-4-3-6-16(19)12-20;3-1(4)2(5)6/h3-4,6-7,10-11,13H,5,8-9H2,1-2H3;(H,3,4)(H,5,6)