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

Systemtic Name: 4-[[6-(azetidin-1-ylcarbonyl)-2-(ethylamino)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[6-(azetidine-1-carbonyl)-2-(ethylamino)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[6-[1-azetidinyl(oxo)methyl]-2-(ethylamino)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[6-(azetidine-1-carbonyl)-2-(ethylamino)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[6-(azetidine-1-carbonyl)-2-(ethylamino)benzimidazol-1-yl]methyl]benzoic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCC4

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCC4

InChI

InChI=1S/C21H22N4O3/c1-2-22-21-23-17-9-8-16(19(26)24-10-3-11-24)12-18(17)25(21)13-14-4-6-15(7-5-14)20(27)28/h4-9,12H,2-3,10-11,13H2,1H3,(H,22,23)(H,27,28)