2-(benzimidazol-1-yl)-5-(2-cyanophenyl)octanoic acid

Systemtic Name: 2-(benzimidazol-1-yl)-5-(2-cyanophenyl)octanoic acid Openeye Name: 2-(benzimidazol-1-yl)-5-(2-cyanophenyl)octanoic acid CAS Name: 2-(1-benzimidazolyl)-5-(2-cyanophenyl)octanoic acid IUPAC Name: 2-(benzimidazol-1-yl)-5-(2-cyanophenyl)octanoic acid Traditional Name: 2-(benzimidazol-1-yl)-5-(2-cyanophenyl)caprylic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C(=O)O)N1C=NC2=CC=CC=C21)C3=CC=CC=C3C#N

Isomeric SMILES

CCCC(CCC(C(=O)O)N1C=NC2=CC=CC=C21)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H23N3O2/c1-2-7-16(18-9-4-3-8-17(18)14-23)12-13-21(22(26)27)25-15-24-19-10-5-6-11-20(19)25/h3-6,8-11,15-16,21H,2,7,12-13H2,1H3,(H,26,27)