2-[4-(benzimidazol-1-yl)butoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[4-(benzimidazol-1-yl)butoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[4-(benzimidazol-1-yl)butoxy]benzonitrile; oxalic acid CAS Name: 2-[4-(1-benzimidazolyl)butoxy]benzonitrile; oxalic acid IUPAC Name: 2-[4-(benzimidazol-1-yl)butoxy]benzonitrile; oxalic acid Traditional Name: 2-[4-(benzimidazol-1-yl)butoxy]benzonitrile; oxalic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCCCCN2C=NC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17N3O.C2H2O4/c19-13-15-7-1-4-10-18(15)22-12-6-5-11-21-14-20-16-8-2-3-9-17(16)21;3-1(4)2(5)6/h1-4,7-10,14H,5-6,11-12H2;(H,3,4)(H,5,6)