2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-(6,7-dimethoxy-1-veratryl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CC(=O)O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2CC(=O)O)OC)OC)OC

InChI

InChI=1S/C22H27NO6/c1-26-18-6-5-14(10-19(18)27-2)9-17-16-12-21(29-4)20(28-3)11-15(16)7-8-23(17)13-22(24)25/h5-6,10-12,17H,7-9,13H2,1-4H3,(H,24,25)