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

Systemtic Name: ethyl 4-[[2-(4-bromophenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(4-bromophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(4-bromobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C28H28BrNO6 MolecularWeight: 554.42902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=C(C=C4)Br)OC)OC

InChI

InChI=1S/C28H28BrNO6/c1-4-35-28(32)19-7-11-22(12-8-19)36-17-24-23-16-26(34-3)25(33-2)15-20(23)13-14-30(24)27(31)18-5-9-21(29)10-6-18/h5-12,15-16,24H,4,13-14,17H2,1-3H3