8-(3-octyl-2-oxidanylidene-benzimidazol-1-yl)octanoic acid

Systemtic Name: 8-(3-octyl-2-oxidanylidene-benzimidazol-1-yl)octanoic acid Openeye Name: 8-(3-octyl-2-oxo-benzimidazol-1-yl)octanoic acid CAS Name: 8-(3-octyl-2-oxo-1-benzimidazolyl)octanoic acid IUPAC Name: 8-(3-octyl-2-oxobenzimidazol-1-yl)octanoic acid Traditional Name: 8-(2-keto-3-octyl-benzimidazol-1-yl)caprylic acid Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2N(C1=O)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2N(C1=O)CCCCCCCC(=O)O

InChI

InChI=1S/C23H36N2O3/c1-2-3-4-5-8-13-18-24-20-15-11-12-16-21(20)25(23(24)28)19-14-9-6-7-10-17-22(26)27/h11-12,15-16H,2-10,13-14,17-19H2,1H3,(H,26,27)