6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one

Systemtic Name: 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one Openeye Name: 6,7-diethoxy-1-(4-ethoxyphenyl)isochroman-3-one CAS Name: 6,7-diethoxy-1-(4-ethoxyphenyl)-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: 6,7-diethoxy-1-(4-ethoxyphenyl)-1,4-dihydroisochromen-3-one Traditional Name: 6,7-diethoxy-1-p-phenetyl-isochroman-3-one Formula: C21H24O5 MolecularWeight: 356.41226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OCC)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC(=O)O2)OCC)OCC

InChI

InChI=1S/C21H24O5/c1-4-23-16-9-7-14(8-10-16)21-17-13-19(25-6-3)18(24-5-2)11-15(17)12-20(22)26-21/h7-11,13,21H,4-6,12H2,1-3H3