7-[[2-(2-ethylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[[2-(2-ethylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[2-(2-ethylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[2-(2-ethyl-1-oxobutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[2-(2-ethylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[[2-(2-ethylbutanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-coumarin Formula: C28H33NO6 MolecularWeight: 479.56472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCC2=CC(=C(C=C2C1COC3=CC4=C(C=C3)C(=CC(=O)O4)C)OC)OC

InChI

InChI=1S/C28H33NO6/c1-6-18(7-2)28(31)29-11-10-19-13-25(32-4)26(33-5)15-22(19)23(29)16-34-20-8-9-21-17(3)12-27(30)35-24(21)14-20/h8-9,12-15,18,23H,6-7,10-11,16H2,1-5H3