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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC(=O)O)N1C2=CC=CC=C2N=C1C3=CC=CC=C3C#N

Isomeric SMILES

CCCC(CCCC(=O)O)N1C2=CC=CC=C2N=C1C3=CC=CC=C3C#N

InChI

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