3-ethyl-7,7-dimethyl-5,6-dihydro-1-benzofuran-4-one; 3-ethyl-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1-benzofuran-4-one

Systemtic Name: 3-ethyl-7,7-dimethyl-5,6-dihydro-1-benzofuran-4-one; 3-ethyl-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1-benzofuran-4-one Openeye Name: 3-ethyl-7,7-dimethyl-5,6-dihydrobenzofuran-4-one; 3-ethyl-7,7-dimethyl-2-(4-pyridyl)-5,6-dihydrobenzofuran-4-one CAS Name: 3-ethyl-7,7-dimethyl-5,6-dihydrobenzofuran-4-one; 3-ethyl-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydrobenzofuran-4-one IUPAC Name: 3-ethyl-7,7-dimethyl-5,6-dihydro-1-benzofuran-4-one; 3-ethyl-7,7-dimethyl-2-pyridin-4-yl-5,6-dihydro-1-benzofuran-4-one Traditional Name: 3-ethyl-7,7-dimethyl-5,6-dihydrobenzofuran-4-one; 3-ethyl-7,7-dimethyl-2-(4-pyridyl)-5,6-dihydrobenzofuran-4-one Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=COC2=C1C(=O)CCC2(C)C.CCC1=C(OC2=C1C(=O)CCC2(C)C)C3=CC=NC=C3

Isomeric SMILES

CCC1=COC2=C1C(=O)CCC2(C)C.CCC1=C(OC2=C1C(=O)CCC2(C)C)C3=CC=NC=C3

InChI

InChI=1S/C17H19NO2.C12H16O2/c1-4-12-14-13(19)5-8-17(2,3)16(14)20-15(12)11-6-9-18-10-7-11;1-4-8-7-14-11-10(8)9(13)5-6-12(11,2)3/h6-7,9-10H,4-5,8H2,1-3H3;7H,4-6H2,1-3H3