3-(1-tert-butyl-3-pyridin-2-yl-pyrazol-4-yl)propanoate

Systemtic Name: 3-(1-tert-butyl-3-pyridin-2-yl-pyrazol-4-yl)propanoate Openeye Name: 3-[1-tert-butyl-3-(2-pyridyl)pyrazol-4-yl]propanoate CAS Name: 3-[1-tert-butyl-3-(2-pyridinyl)-4-pyrazolyl]propanoate IUPAC Name: 3-(1-tert-butyl-3-pyridin-2-ylpyrazol-4-yl)propanoate Traditional Name: 3-[1-tert-butyl-3-(2-pyridyl)pyrazol-4-yl]propionate Formula: C15H18N3O2- MolecularWeight: 272.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=N2)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=CC=N2)CCC(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-15(2,3)18-10-11(7-8-13(19)20)14(17-18)12-6-4-5-9-16-12/h4-6,9-10H,7-8H2,1-3H3,(H,19,20)/p-1