4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclohexanecarboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)C(C)N2C=NC=N2

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)C(C)N2C=NC=N2

InChI

InChI=1S/C13H20N4O3/c1-9-3-5-13(6-4-9,12(19)20)16-11(18)10(2)17-8-14-7-15-17/h7-10H,3-6H2,1-2H3,(H,16,18)(H,19,20)