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

Systemtic Name: 3-[[1-methyl-6-(methylamino)-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-methyl-6-(methylamino)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-methyl-6-(methylamino)-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-methyl-6-(methylamino)-2-(2-piperidin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-methyl-6-(methylamino)-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid Formula: C20H29N5O3 MolecularWeight: 387.47596

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C(=C1)C(=O)NCCC(=O)O)N=C(N2C)CCC3CCNCC3

Isomeric SMILES

CNC1=CC2=C(C(=C1)C(=O)NCCC(=O)O)N=C(N2C)CCC3CCNCC3

InChI

InChI=1S/C20H29N5O3/c1-21-14-11-15(20(28)23-10-7-18(26)27)19-16(12-14)25(2)17(24-19)4-3-13-5-8-22-9-6-13/h11-13,21-22H,3-10H2,1-2H3,(H,23,28)(H,26,27)