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

Systemtic Name: 2-methyl-3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazol-4-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-3-[[1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propanoic acid CAS Name: 2-methyl-3-[[[1-methyl-2-[2-(4-piperidinyl)ethyl]-4-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-methyl-3-[[1-methyl-2-(2-piperidin-4-ylethyl)benzimidazole-4-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-3-[[1-methyl-2-[2-(4-piperidyl)ethyl]benzimidazole-4-carbonyl]amino]propionic acid Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=C2C(=CC=C1)N(C(=N2)CCC3CCNCC3)C)C(=O)O

Isomeric SMILES

CC(CNC(=O)C1=C2C(=CC=C1)N(C(=N2)CCC3CCNCC3)C)C(=O)O

InChI

InChI=1S/C20H28N4O3/c1-13(20(26)27)12-22-19(25)15-4-3-5-16-18(15)23-17(24(16)2)7-6-14-8-10-21-11-9-14/h3-5,13-14,21H,6-12H2,1-2H3,(H,22,25)(H,26,27)