methyl 4-imidazol-1-yl-2,2-dimethyl-hexanoate

Systemtic Name: methyl 4-imidazol-1-yl-2,2-dimethyl-hexanoate Openeye Name: methyl 4-imidazol-1-yl-2,2-dimethyl-hexanoate CAS Name: 4-(1-imidazolyl)-2,2-dimethylhexanoic acid methyl ester IUPAC Name: methyl 4-imidazol-1-yl-2,2-dimethylhexanoate Traditional Name: 4-imidazol-1-yl-2,2-dimethyl-hexanoic acid methyl ester Formula: C12H20N2O2 MolecularWeight: 224.2994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C(=O)OC)N1C=CN=C1

Isomeric SMILES

CCC(CC(C)(C)C(=O)OC)N1C=CN=C1

InChI

InChI=1S/C12H20N2O2/c1-5-10(14-7-6-13-9-14)8-12(2,3)11(15)16-4/h6-7,9-10H,5,8H2,1-4H3