6-imidazol-1-ylhexyl 3-oxidanylidenebutanoate

Systemtic Name: 6-imidazol-1-ylhexyl 3-oxidanylidenebutanoate Openeye Name: 6-imidazol-1-ylhexyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 6-(1-imidazolyl)hexyl ester IUPAC Name: 6-imidazol-1-ylhexyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 6-imidazol-1-ylhexyl ester Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCCCCCN1C=CN=C1

Isomeric SMILES

CC(=O)CC(=O)OCCCCCCN1C=CN=C1

InChI

InChI=1S/C13H20N2O3/c1-12(16)10-13(17)18-9-5-3-2-4-7-15-8-6-14-11-15/h6,8,11H,2-5,7,9-10H2,1H3