2-[[5,6-dimethyl-2-(4-phenylbutyl)benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[5,6-dimethyl-2-(4-phenylbutyl)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 2-[[5,6-dimethyl-2-(4-phenylbutyl)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 2-[[5,6-dimethyl-2-(4-phenylbutyl)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 2-[[5,6-dimethyl-2-(4-phenylbutyl)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5,6-dimethyl-2-(4-phenylbutyl)benzimidazol-1-yl]methyl]benzoic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCCCC3=CC=CC=C3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C27H28N2O2/c1-19-16-24-25(17-20(19)2)29(18-22-13-7-8-14-23(22)27(30)31)26(28-24)15-9-6-12-21-10-4-3-5-11-21/h3-5,7-8,10-11,13-14,16-17H,6,9,12,15,18H2,1-2H3,(H,30,31)