3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate

Systemtic Name: 3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate Openeye Name: 3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid 3-(1H-imidazol-5-yl)propyl ester IUPAC Name: 3-(1H-imidazol-5-yl)propyl 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid 3-(1H-imidazol-5-yl)propyl ester Formula: C12H20N2O2 MolecularWeight: 224.2994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCCCC1=CN=CN1

Isomeric SMILES

CC(C)(C)CC(=O)OCCCC1=CN=CN1

InChI

InChI=1S/C12H20N2O2/c1-12(2,3)7-11(15)16-6-4-5-10-8-13-9-14-10/h8-9H,4-7H2,1-3H3,(H,13,14)