[5-bromanyl-1-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate

Systemtic Name: [5-bromanyl-1-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate Openeye Name: [5-bromo-1-[(2-bromo-5-methoxy-phenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate CAS Name: benzoic acid [5-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] ester IUPAC Name: [5-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate Traditional Name: benzoic acid [5-bromo-1-(2-bromo-5-methoxy-benzyl)-2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl] ester Formula: C26H25Br2NO3 MolecularWeight: 559.2896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C=CC(=C2C1CC3=C(C=CC(=C3)OC)Br)OC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CCN1CCC2=C(C=CC(=C2C1CC3=C(C=CC(=C3)OC)Br)OC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H25Br2NO3/c1-3-29-14-13-20-22(28)11-12-24(32-26(30)17-7-5-4-6-8-17)25(20)23(29)16-18-15-19(31-2)9-10-21(18)27/h4-12,15,23H,3,13-14,16H2,1-2H3