O1-[4-(3,5-dimethylpyrazol-1-yl)butyl] O3-ethyl 2-ethyl-2-methyl-propanedioate

Systemtic Name: O1-[4-(3,5-dimethylpyrazol-1-yl)butyl] O3-ethyl 2-ethyl-2-methyl-propanedioate Openeye Name: O1-[4-(3,5-dimethylpyrazol-1-yl)butyl] O3-ethyl 2-ethyl-2-methyl-propanedioate CAS Name: 2-ethyl-2-methylpropanedioic acid O1-[4-(3,5-dimethyl-1-pyrazolyl)butyl] ester O3-ethyl ester IUPAC Name: 1-O-[4-(3,5-dimethylpyrazol-1-yl)butyl] 3-O-ethyl 2-ethyl-2-methylpropanedioate Traditional Name: 2-ethyl-2-methyl-malonic acid O1-[4-(3,5-dimethylpyrazol-1-yl)butyl] ester O3-ethyl ester Formula: C17H28N2O4 MolecularWeight: 324.41522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC)C(=O)OCCCCN1C(=CC(=N1)C)C

Isomeric SMILES

CCC(C)(C(=O)OCC)C(=O)OCCCCN1C(=CC(=N1)C)C

InChI

InChI=1S/C17H28N2O4/c1-6-17(5,15(20)22-7-2)16(21)23-11-9-8-10-19-14(4)12-13(3)18-19/h12H,6-11H2,1-5H3