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

Systemtic Name: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoate Openeye Name: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-(1-oxopentyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6,7-dimethoxy-2-pentanoyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoate Traditional Name: 4-[(6,7-dimethoxy-2-valeryl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoic acid ethyl ester Formula: C26H33NO6 MolecularWeight: 455.54332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6/c1-5-7-8-25(28)27-14-13-19-15-23(30-3)24(31-4)16-21(19)22(27)17-33-20-11-9-18(10-12-20)26(29)32-6-2/h9-12,15-16,22H,5-8,13-14,17H2,1-4H3