2-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[6,7-dimethoxy-1-(3-methoxyphenyl)carbonyl-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-1-(3-methoxybenzoyl)-4-isoquinolyl]acetic acid CAS Name: 2-[6,7-dimethoxy-1-[(3-methoxyphenyl)-oxomethyl]-4-isoquinolinyl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-1-(3-methoxybenzoyl)isoquinolin-4-yl]acetic acid Traditional Name: 2-(1-m-anisoyl-6,7-dimethoxy-4-isoquinolyl)acetic acid Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

InChI

InChI=1S/C21H19NO6/c1-26-14-6-4-5-12(7-14)21(25)20-16-10-18(28-3)17(27-2)9-15(16)13(11-22-20)8-19(23)24/h4-7,9-11H,8H2,1-3H3,(H,23,24)