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

Systemtic Name: 7-[(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[6,7-dimethoxy-2-(1-oxobutyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2-butanoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methylchromen-2-one Traditional Name: 7-[(2-butyryl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-coumarin Formula: C26H29NO6 MolecularWeight: 451.51156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6/c1-5-6-25(28)27-10-9-17-12-23(30-3)24(31-4)14-20(17)21(27)15-32-18-7-8-19-16(2)11-26(29)33-22(19)13-18/h7-8,11-14,21H,5-6,9-10,15H2,1-4H3