2,6-di(propan-2-yl)phenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one

Systemtic Name: 2,6-di(propan-2-yl)phenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Openeye Name: 2,6-diisopropylphenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one CAS Name: 2,6-di(propan-2-yl)phenol; (3S,4R)-3-ethyl-4-[(3-methyl-4-imidazolyl)methyl]-2-oxolanone IUPAC Name: 2,6-di(propan-2-yl)phenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one Traditional Name: 2,6-diisopropylphenol; (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]tetrahydrofuran-2-one Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(COC1=O)CC2=CN=CN2C.CC(C)C1=C(C(=CC=C1)C(C)C)O

Isomeric SMILES

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CC(C)C1=C(C(=CC=C1)C(C)C)O

InChI

InChI=1S/C12H18O.C11H16N2O2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5-9,13H,1-4H3;5,7-8,10H,3-4,6H2,1-2H3/t;8-,10-/m.0/s1