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

Systemtic Name: 4-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzoic acid CAS Name: 4-[(2-butyl-5,6-dimethyl-1-benzimidazolyl)methyl]benzoic acid IUPAC Name: 4-[(2-butyl-5,6-dimethylbenzimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]benzoic acid Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C(=C2)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C(=C2)C)C

InChI

InChI=1S/C21H24N2O2/c1-4-5-6-20-22-18-11-14(2)15(3)12-19(18)23(20)13-16-7-9-17(10-8-16)21(24)25/h7-12H,4-6,13H2,1-3H3,(H,24,25)