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

Systemtic Name: 7-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[6,7-dimethoxy-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methylchromen-2-one Traditional Name: 7-[(2-isovaleryl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-coumarin Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=O)CC(C)C)OC)OC

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3C4=CC(=C(C=C4CCN3C(=O)CC(C)C)OC)OC

InChI

InChI=1S/C27H31NO6/c1-16(2)10-26(29)28-9-8-18-12-24(31-4)25(32-5)14-21(18)22(28)15-33-19-6-7-20-17(3)11-27(30)34-23(20)13-19/h6-7,11-14,16,22H,8-10,15H2,1-5H3