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

Systemtic Name: [2-[(8-bromanyl-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Openeye Name: [2-[(8-bromo-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [2-[(8-bromo-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester IUPAC Name: [2-[(8-bromo-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(8-bromo-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester Formula: C25H24BrNO3 MolecularWeight: 466.36696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

CN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C25H24BrNO3/c1-27-13-12-19-14-20(29-2)16-21(26)24(19)22(27)15-18-10-6-7-11-23(18)30-25(28)17-8-4-3-5-9-17/h3-11,14,16,22H,12-13,15H2,1-2H3