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

Systemtic Name: 7-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methyl-chromen-2-one CAS Name: 7-[[6,7-dimethoxy-2-(1-oxopentyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]-4-methylchromen-2-one Traditional Name: 7-[(6,7-dimethoxy-2-valeryl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6/c1-5-6-7-26(29)28-11-10-18-13-24(31-3)25(32-4)15-21(18)22(28)16-33-19-8-9-20-17(2)12-27(30)34-23(20)14-19/h8-9,12-15,22H,5-7,10-11,16H2,1-4H3