5-bromanyl-7-methoxy-8-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine; (E)-but-2-enedioic acid

Systemtic Name: 5-bromanyl-7-methoxy-8-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine; (E)-but-2-enedioic acid Openeye Name: 8-benzyloxy-5-bromo-7-methoxy-N-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-amine; fumaric acid CAS Name: 5-bromo-7-methoxy-8-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine; (E)-2-butenedioic acid IUPAC Name: 5-bromo-7-methoxy-8-phenylmethoxy-N-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-amine; (E)-but-2-enedioic acid Traditional Name: (8-benzoxy-5-bromo-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyridyl)amine; fumaric acid Formula: C26H26BrN3O6 MolecularWeight: 556.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2CCN(CC2=C1OCC3=CC=CC=C3)NC4=CC=NC=C4)Br.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC(=C2CCN(CC2=C1OCC3=CC=CC=C3)NC4=CC=NC=C4)Br.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H22BrN3O2.C4H4O4/c1-27-21-13-20(23)18-9-12-26(25-17-7-10-24-11-8-17)14-19(18)22(21)28-15-16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h2-8,10-11,13H,9,12,14-15H2,1H3,(H,24,25);1-2H,(H,5,6)(H,7,8)/b;2-1+