3-[[6-(dimethylamino)-1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-(dimethylamino)-1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-(dimethylamino)-1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-(dimethylamino)-1-methyl-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-(dimethylamino)-1-methyl-2-(2-piperidin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-(dimethylamino)-1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC(=C2)N(C)C)C(=O)NCCC(=O)O)N=C1CCC3CCNCC3

Isomeric SMILES

CN1C2=C(C(=CC(=C2)N(C)C)C(=O)NCCC(=O)O)N=C1CCC3CCNCC3

InChI

InChI=1S/C21H31N5O3/c1-25(2)15-12-16(21(29)23-11-8-19(27)28)20-17(13-15)26(3)18(24-20)5-4-14-6-9-22-10-7-14/h12-14,22H,4-11H2,1-3H3,(H,23,29)(H,27,28)