8-[3-[(4-methylphenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]octanoic acid

Systemtic Name: 8-[3-[(4-methylphenyl)methyl]-2-oxidanylidene-benzimidazol-1-yl]octanoic acid Openeye Name: 8-[2-oxo-3-(p-tolylmethyl)benzimidazol-1-yl]octanoic acid CAS Name: 8-[3-[(4-methylphenyl)methyl]-2-oxo-1-benzimidazolyl]octanoic acid IUPAC Name: 8-[3-[(4-methylphenyl)methyl]-2-oxobenzimidazol-1-yl]octanoic acid Traditional Name: 8-[2-keto-3-(4-methylbenzyl)benzimidazol-1-yl]caprylic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3N(C2=O)CCCCCCCC(=O)O

InChI

InChI=1S/C23H28N2O3/c1-18-12-14-19(15-13-18)17-25-21-10-7-6-9-20(21)24(23(25)28)16-8-4-2-3-5-11-22(26)27/h6-7,9-10,12-15H,2-5,8,11,16-17H2,1H3,(H,26,27)