6,7-dimethoxy-1-methyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-methyl-isoquinoline-3-carboxylic acid Openeye Name: 6,7-dimethoxy-1-methyl-isoquinoline-3-carboxylic acid CAS Name: 6,7-dimethoxy-1-methyl-3-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-methylisoquinoline-3-carboxylic acid Traditional Name: 6,7-dimethoxy-1-methyl-isoquinoline-3-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-7-9-6-12(18-3)11(17-2)5-8(9)4-10(14-7)13(15)16/h4-6H,1-3H3,(H,15,16)