1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexanecarboxylic acid CAS Name: 1-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[3-(1,2,4-triazol-1-yl)propanoylamino]cyclohexanecarboxylic acid Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C12H18N4O3/c17-10(4-7-16-9-13-8-14-16)15-12(11(18)19)5-2-1-3-6-12/h8-9H,1-7H2,(H,15,17)(H,18,19)