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

Systemtic Name: 3,7,7-trimethyl-5,6-dihydro-1-benzofuran-4-one; 3,7,7-trimethyl-2-pyridin-4-yl-5,6-dihydro-1-benzofuran-4-one Openeye Name: 3,7,7-trimethyl-5,6-dihydrobenzofuran-4-one; 3,7,7-trimethyl-2-(4-pyridyl)-5,6-dihydrobenzofuran-4-one CAS Name: 3,7,7-trimethyl-5,6-dihydrobenzofuran-4-one; 3,7,7-trimethyl-2-pyridin-4-yl-5,6-dihydrobenzofuran-4-one IUPAC Name: 3,7,7-trimethyl-5,6-dihydro-1-benzofuran-4-one; 3,7,7-trimethyl-2-pyridin-4-yl-5,6-dihydro-1-benzofuran-4-one Traditional Name: 3,7,7-trimethyl-5,6-dihydrobenzofuran-4-one; 3,7,7-trimethyl-2-(4-pyridyl)-5,6-dihydrobenzofuran-4-one Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(=O)CCC2(C)C.CC1=C(OC2=C1C(=O)CCC2(C)C)C3=CC=NC=C3

Isomeric SMILES

CC1=COC2=C1C(=O)CCC2(C)C.CC1=C(OC2=C1C(=O)CCC2(C)C)C3=CC=NC=C3

InChI

InChI=1S/C16H17NO2.C11H14O2/c1-10-13-12(18)4-7-16(2,3)15(13)19-14(10)11-5-8-17-9-6-11;1-7-6-13-10-9(7)8(12)4-5-11(10,2)3/h5-6,8-9H,4,7H2,1-3H3;6H,4-5H2,1-3H3