8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid

Systemtic Name: 8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid Openeye Name: 8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid CAS Name: 8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid IUPAC Name: 8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid Traditional Name: 8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)caprylic acid Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CCCCCCCC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CCCCCCCC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C25H33NO4/c1-29-22-17-20-14-16-26(15-10-5-3-4-9-13-24(27)28)25(19-11-7-6-8-12-19)21(20)18-23(22)30-2/h6-8,11-12,17-18,25H,3-5,9-10,13-16H2,1-2H3,(H,27,28)