ethyl 6-imidazol-1-yl-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-imidazol-1-yl-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-imidazol-1-yl-2,2-dimethyl-hexanoate CAS Name: 6-(1-imidazolyl)-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-imidazol-1-yl-2,2-dimethylhexanoate Traditional Name: 6-imidazol-1-yl-2,2-dimethyl-hexanoic acid ethyl ester Formula: C13H22N2O2 MolecularWeight: 238.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCN1C=CN=C1

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCN1C=CN=C1

InChI

InChI=1S/C13H22N2O2/c1-4-17-12(16)13(2,3)7-5-6-9-15-10-8-14-11-15/h8,10-11H,4-7,9H2,1-3H3