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

Systemtic Name: 8-[2-oxidanylidene-3-(phenylmethyl)benzimidazol-1-yl]octanoic acid Openeye Name: 8-(3-benzyl-2-oxo-benzimidazol-1-yl)octanoic acid CAS Name: 8-[2-oxo-3-(phenylmethyl)-1-benzimidazolyl]octanoic acid IUPAC Name: 8-(3-benzyl-2-oxobenzimidazol-1-yl)octanoic acid Traditional Name: 8-(3-benzyl-2-keto-benzimidazol-1-yl)caprylic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c25-21(26)15-7-2-1-3-10-16-23-19-13-8-9-14-20(19)24(22(23)27)17-18-11-5-4-6-12-18/h4-6,8-9,11-14H,1-3,7,10,15-17H2,(H,25,26)