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

Systemtic Name: [2-[(8-bromanyl-6-methoxy-2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Openeye Name: [2-[(8-bromo-6-methoxy-2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate CAS Name: benzoic acid [2-[(8-bromo-6-methoxy-2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester IUPAC Name: [2-[(8-bromo-6-methoxy-2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [2-[(8-bromo-6-methoxy-2-propyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl] ester Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

Isomeric SMILES

CCCN1CCC2=CC(=CC(=C2C1CC3=CC=CC=C3OC(=O)C4=CC=CC=C4)Br)OC

InChI

InChI=1S/C27H28BrNO3/c1-3-14-29-15-13-21-16-22(31-2)18-23(28)26(21)24(29)17-20-11-7-8-12-25(20)32-27(30)19-9-5-4-6-10-19/h4-12,16,18,24H,3,13-15,17H2,1-2H3