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

Systemtic Name: methyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-(3-methyl-1-oxobutyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[6,7-dimethoxy-2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[(2-isovaleryl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoic acid methyl ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OC)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)C(=O)OC)OC)OC

InChI

InChI=1S/C25H31NO6/c1-16(2)12-24(27)26-11-10-18-13-22(29-3)23(30-4)14-20(18)21(26)15-32-19-8-6-17(7-9-19)25(28)31-5/h6-9,13-14,16,21H,10-12,15H2,1-5H3