7-[2-(1,2,4-triazol-1-yl)ethanoylamino]heptanoic acid

Systemtic Name: 7-[2-(1,2,4-triazol-1-yl)ethanoylamino]heptanoic acid Openeye Name: 7-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid CAS Name: 7-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]heptanoic acid IUPAC Name: 7-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid Traditional Name: 7-[[2-(1,2,4-triazol-1-yl)acetyl]amino]enanthic acid Formula: C11H18N4O3 MolecularWeight: 254.28562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC(=O)NCCCCCCC(=O)O

Isomeric SMILES

C1=NN(C=N1)CC(=O)NCCCCCCC(=O)O

InChI

InChI=1S/C11H18N4O3/c16-10(7-15-9-12-8-14-15)13-6-4-2-1-3-5-11(17)18/h8-9H,1-7H2,(H,13,16)(H,17,18)