3-[[2-(4-azanylcyclohexyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-azanylcyclohexyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-aminocyclohexyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-aminocyclohexyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-aminocyclohexyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-aminocyclohexyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid Formula: C18H24N4O3 MolecularWeight: 344.40816

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCC(CC3)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3CCC(CC3)N

InChI

InChI=1S/C18H24N4O3/c1-22-15-7-4-12(18(25)20-9-8-16(23)24)10-14(15)21-17(22)11-2-5-13(19)6-3-11/h4,7,10-11,13H,2-3,5-6,8-9,19H2,1H3,(H,20,25)(H,23,24)