ethyl 4-bromanyl-5-[(6,7-dimethoxy-8-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxy-benzoate

Systemtic Name: ethyl 4-bromanyl-5-[(6,7-dimethoxy-8-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxy-benzoate Openeye Name: ethyl 5-[(8-benzyloxy-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-4-bromo-2-methoxy-benzoate CAS Name: 4-bromo-5-[(6,7-dimethoxy-8-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-[(6,7-dimethoxy-8-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxybenzoate Traditional Name: 5-[(8-benzoxy-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-4-bromo-2-methoxy-benzoic acid ethyl ester Formula: C29H30BrNO6 MolecularWeight: 568.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OC)Br)CC2=NCCC3=CC(=C(C(=C32)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OC)Br)CC2=NCCC3=CC(=C(C(=C32)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C29H30BrNO6/c1-5-36-29(32)21-13-20(22(30)16-24(21)33-2)14-23-26-19(11-12-31-23)15-25(34-3)27(35-4)28(26)37-17-18-9-7-6-8-10-18/h6-10,13,15-16H,5,11-12,14,17H2,1-4H3