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

Systemtic Name: ethyl 4-[[6,7-dimethoxy-2-(2-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[6,7-dimethoxy-2-(2-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[6,7-dimethoxy-2-(1-oxo-2-phenylbutyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6,7-dimethoxy-2-(2-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[6,7-dimethoxy-2-(2-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C31H35NO6 MolecularWeight: 517.6127

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCC3=CC(=C(C=C3C2COC4=CC=C(C=C4)C(=O)OCC)OC)OC

InChI

InChI=1S/C31H35NO6/c1-5-25(21-10-8-7-9-11-21)30(33)32-17-16-23-18-28(35-3)29(36-4)19-26(23)27(32)20-38-24-14-12-22(13-15-24)31(34)37-6-2/h7-15,18-19,25,27H,5-6,16-17,20H2,1-4H3