2-[4-[(2-ethyl-6-isoquinolin-3-yl-benzimidazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-ethyl-6-isoquinolin-3-yl-benzimidazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[2-ethyl-6-(3-isoquinolyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[2-ethyl-6-(3-isoquinolinyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-ethyl-6-isoquinolin-3-ylbenzimidazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[2-ethyl-6-(3-isoquinolyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C32H25N3O2 MolecularWeight: 483.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=CC6=CC=CC=C6C=N5

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2)C5=CC6=CC=CC=C6C=N5

InChI

InChI=1S/C32H25N3O2/c1-2-31-34-28-16-15-24(29-17-23-7-3-4-8-25(23)19-33-29)18-30(28)35(31)20-21-11-13-22(14-12-21)26-9-5-6-10-27(26)32(36)37/h3-19H,2,20H2,1H3,(H,36,37)