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

Systemtic Name: [5-bromanyl-1-[(2-bromanyl-5-methoxy-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate Openeye Name: [5-bromo-1-[(2-bromo-5-methoxy-phenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate CAS Name: benzoic acid [5-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl] ester IUPAC Name: [5-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl] benzoate Traditional Name: benzoic acid [5-bromo-1-(2-bromo-5-methoxy-benzyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl] ester Formula: C25H23Br2NO3 MolecularWeight: 545.26302

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2C1CC3=C(C=CC(=C3)OC)Br)OC(=O)C4=CC=CC=C4)Br

Isomeric SMILES

CN1CCC2=C(C=CC(=C2C1CC3=C(C=CC(=C3)OC)Br)OC(=O)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H23Br2NO3/c1-28-13-12-19-21(27)10-11-23(31-25(29)16-6-4-3-5-7-16)24(19)22(28)15-17-14-18(30-2)8-9-20(17)26/h3-11,14,22H,12-13,15H2,1-2H3