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

Systemtic Name: 4-[[2-(butylamino)-6-morpholin-4-ylcarbonyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(butylamino)-6-(morpholine-4-carbonyl)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(butylamino)-6-[4-morpholinyl(oxo)methyl]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(butylamino)-6-(morpholine-4-carbonyl)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(butylamino)-6-(morpholine-4-carbonyl)benzimidazol-1-yl]methyl]benzoic acid Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCOCC4

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCOCC4

InChI

InChI=1S/C24H28N4O4/c1-2-3-10-25-24-26-20-9-8-19(22(29)27-11-13-32-14-12-27)15-21(20)28(24)16-17-4-6-18(7-5-17)23(30)31/h4-9,15H,2-3,10-14,16H2,1H3,(H,25,26)(H,30,31)