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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO6/c1-5-7-24(27)26-13-12-18-14-22(29-3)23(30-4)15-20(18)21(26)16-32-19-10-8-17(9-11-19)25(28)31-6-2/h8-11,14-15,21H,5-7,12-13,16H2,1-4H3