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

Systemtic Name: 4-[[2-(ethylamino)-6-pyrrolidin-1-ylcarbonyl-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[2-(ethylamino)-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[2-(ethylamino)-6-[oxo(1-pyrrolidinyl)methyl]-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[2-(ethylamino)-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[2-(ethylamino)-6-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]methyl]benzoic acid Formula: C22H24N4O3 MolecularWeight: 392.45096

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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)N4CCCC4

Isomeric SMILES

CCNC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C=C(C=C2)C(=O)N4CCCC4

InChI

InChI=1S/C22H24N4O3/c1-2-23-22-24-18-10-9-17(20(27)25-11-3-4-12-25)13-19(18)26(22)14-15-5-7-16(8-6-15)21(28)29/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,24)(H,28,29)