4-[[6-morpholin-4-ylcarbonyl-2-(propylamino)benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-morpholin-4-ylcarbonyl-2-(propylamino)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(morpholine-4-carbonyl)-2-(propylamino)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[4-morpholinyl(oxo)methyl]-2-(propylamino)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(morpholine-4-carbonyl)-2-(propylamino)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(morpholine-4-carbonyl)-2-(propylamino)benzimidazol-1-yl]methyl]benzoic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCOCC4

Isomeric SMILES

CCCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCOCC4

InChI

InChI=1S/C23H26N4O4/c1-2-9-24-23-25-19-8-7-18(21(28)26-10-12-31-13-11-26)14-20(19)27(23)15-16-3-5-17(6-4-16)22(29)30/h3-8,14H,2,9-13,15H2,1H3,(H,24,25)(H,29,30)