ethyl 3-(3,5-dimethyl-1-propyl-pyrazol-4-yl)propanoate

Systemtic Name: ethyl 3-(3,5-dimethyl-1-propyl-pyrazol-4-yl)propanoate Openeye Name: ethyl 3-(3,5-dimethyl-1-propyl-pyrazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-1-propyl-4-pyrazolyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,5-dimethyl-1-propylpyrazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethyl-1-propyl-pyrazol-4-yl)propionic acid ethyl ester Formula: C13H22N2O2 MolecularWeight: 238.32598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C)CCC(=O)OCC)C

Isomeric SMILES

CCCN1C(=C(C(=N1)C)CCC(=O)OCC)C

InChI

InChI=1S/C13H22N2O2/c1-5-9-15-11(4)12(10(3)14-15)7-8-13(16)17-6-2/h5-9H2,1-4H3