[2-[(8-bromanyl-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate

Systemtic Name: [2-[(8-bromanyl-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Openeye Name: [2-[(8-bromo-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [2-[(8-bromo-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester IUPAC Name: [2-[(8-bromo-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(8-bromo-2-ethyl-6-methoxy-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester Formula: C26H26BrNO3 MolecularWeight: 480.39354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

CCN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C26H26BrNO3/c1-3-28-14-13-20-15-21(30-2)17-22(27)25(20)23(28)16-19-11-7-8-12-24(19)31-26(29)18-9-5-4-6-10-18/h4-12,15,17,23H,3,13-14,16H2,1-2H3