(3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: (3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: (3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone CAS Name: (3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: (3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Traditional Name: (3-bromophenyl)-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone Formula: C27H28BrNO4 MolecularWeight: 510.41952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)Br)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC(=CC=C4)Br)OC)OC

InChI

InChI=1S/C27H28BrNO4/c1-4-18-8-10-22(11-9-18)33-17-24-23-16-26(32-3)25(31-2)15-19(23)12-13-29(24)27(30)20-6-5-7-21(28)14-20/h5-11,14-16,24H,4,12-13,17H2,1-3H3