4-[[6-[oxidanyl(phenyl)methyl]-2-propyl-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[oxidanyl(phenyl)methyl]-2-propyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-[hydroxy(phenyl)methyl]-2-propyl-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[hydroxy(phenyl)methyl]-2-propyl-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[6-[hydroxy(phenyl)methyl]-2-propylbenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-[hydroxy(phenyl)methyl]-2-propyl-benzimidazol-1-yl]methyl]benzoic acid Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(C4=CC=CC=C4)O

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(C4=CC=CC=C4)O

InChI

InChI=1S/C25H24N2O3/c1-2-6-23-26-21-14-13-20(24(28)18-7-4-3-5-8-18)15-22(21)27(23)16-17-9-11-19(12-10-17)25(29)30/h3-5,7-15,24,28H,2,6,16H2,1H3,(H,29,30)