2-[2-(6,7-dimethoxy-1-methyl-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-(6,7-dimethoxy-1-methyl-isoquinolin-3-yl)-4,5-dimethoxy-phenyl]ethanoic acid Openeye Name: 2-[2-(6,7-dimethoxy-1-methyl-3-isoquinolyl)-4,5-dimethoxy-phenyl]acetic acid CAS Name: 2-[2-(6,7-dimethoxy-1-methyl-3-isoquinolinyl)-4,5-dimethoxyphenyl]acetic acid IUPAC Name: 2-[2-(6,7-dimethoxy-1-methylisoquinolin-3-yl)-4,5-dimethoxyphenyl]acetic acid Traditional Name: 2-[2-(6,7-dimethoxy-1-methyl-3-isoquinolyl)-4,5-dimethoxy-phenyl]acetic acid Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3CC(=O)O)OC)OC

Isomeric SMILES

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3CC(=O)O)OC)OC

InChI

InChI=1S/C22H23NO6/c1-12-15-10-20(28-4)18(26-2)7-13(15)6-17(23-12)16-11-21(29-5)19(27-3)8-14(16)9-22(24)25/h6-8,10-11H,9H2,1-5H3,(H,24,25)