4-[[6-(azetidin-1-ylcarbonyl)-2-ethoxy-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-(azetidin-1-ylcarbonyl)-2-ethoxy-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(azetidine-1-carbonyl)-2-ethoxy-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[1-azetidinyl(oxo)methyl]-2-ethoxy-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(azetidine-1-carbonyl)-2-ethoxybenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(azetidine-1-carbonyl)-2-ethoxy-benzimidazol-1-yl]methyl]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCC4

Isomeric SMILES

CCOC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCC4

InChI

InChI=1S/C21H21N3O4/c1-2-28-21-22-17-9-8-16(19(25)23-10-3-11-23)12-18(17)24(21)13-14-4-6-15(7-5-14)20(26)27/h4-9,12H,2-3,10-11,13H2,1H3,(H,26,27)