8-[3-[(2-chlorophenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]octanoic acid

Systemtic Name: 8-[3-[(2-chlorophenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]octanoic acid Openeye Name: 8-[3-[(2-chlorophenyl)methyl]-2-oxo-benzimidazol-1-yl]octanoic acid CAS Name: 8-[3-[(2-chlorophenyl)methyl]-2-oxo-1-benzimidazolyl]octanoic acid IUPAC Name: 8-[3-[(2-chlorophenyl)methyl]-2-oxobenzimidazol-1-yl]octanoic acid Traditional Name: 8-[3-(2-chlorobenzyl)-2-keto-benzimidazol-1-yl]caprylic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=O)CCCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C3=CC=CC=C3N(C2=O)CCCCCCCC(=O)O)Cl

InChI

InChI=1S/C22H25ClN2O3/c23-18-11-6-5-10-17(18)16-25-20-13-8-7-12-19(20)24(22(25)28)15-9-3-1-2-4-14-21(26)27/h5-8,10-13H,1-4,9,14-16H2,(H,26,27)