(E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]prop-2-en-1-one Formula: C21H20O5 MolecularWeight: 352.3805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)C3=CC4=C(C=C3)OCO4)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)C3=CC4=C(C=C3)OCO4)O[C@H](C2)C

InChI

InChI=1S/C21H20O5/c1-3-23-19-11-16-8-13(2)26-20(16)10-15(19)4-6-17(22)14-5-7-18-21(9-14)25-12-24-18/h4-7,9-11,13H,3,8,12H2,1-2H3/b6-4+/t13-/m0/s1