5-azanyl-1-octan-2-yl-imidazole-4-carboxylic acid

Systemtic Name: 5-azanyl-1-octan-2-yl-imidazole-4-carboxylic acid Openeye Name: 5-amino-1-(1-methylheptyl)imidazole-4-carboxylic acid CAS Name: 5-amino-1-octan-2-yl-4-imidazolecarboxylic acid IUPAC Name: 5-amino-1-octan-2-ylimidazole-4-carboxylic acid Traditional Name: 5-amino-1-(1-methylheptyl)imidazole-4-carboxylic acid Formula: C12H21N3O2 MolecularWeight: 239.31404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C=NC(=C1N)C(=O)O

Isomeric SMILES

CCCCCCC(C)N1C=NC(=C1N)C(=O)O

InChI

InChI=1S/C12H21N3O2/c1-3-4-5-6-7-9(2)15-8-14-10(11(15)13)12(16)17/h8-9H,3-7,13H2,1-2H3,(H,16,17)